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Amsacrine

PubChem CID: 2179

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Compound Synonyms amsacrine, 51264-14-3, Amsidine, m-AMSA, Amsidyl, Acridinylanisidide, Amsacrina, Lamasine, Amekrin, mAMSA, Amsacrinum, Acridinyl Anisidide, meta-Amsacrine, amsidil, Amsine, 4'-(9-Acridinylamino)methanesulfon-m-anisidide, AMSA, Amsacrinum [INN-Latin], Amsacrina [INN-Spanish], SN-11841, 4'-(9-Acridinylamino)-3'-methoxymethanesulfonanilide, NSC-249992, N-[4-(acridin-9-ylamino)-3-methoxyphenyl]methanesulfonamide, 4'-(9-Acridinylamino)methanesulphon-m-anisidide, CI-880, NSC249992, NSC 156303, NSC 249992, NSC-156303, Methanesulfonamide, N-[4-(9-acridinylamino)-3-methoxyphenyl]-, Amsidyl (TN), SN 21429, 4'-(9-Acridinylamino)methanesulfon-meta-anisidide, N-(4-(Acridin-9-ylamino)-3-methoxyphenyl)methanesulfonamide, CCRIS 1027, HSDB 7087, m-AMSA, acridinyl anisidide, EINECS 257-094-3, 00DPD30SOY, CI 880, Amsacrine [USAN:INN:BAN], N-(4-(9-Acridinylamino)-3-methoxyphenyl)methanesulfonamide, N-[4-(9-Acridinylamino)-3-methoxyphenyl]methanesulfonamide, BRN 0500176, CHEBI:2687, Methanesulfonamide, N-(4-(9-acridinylamino)-3-methoxyphenyl)-, AMSACRINE [INN], AMSACRINE [MI], Methanesulfonanilide, 4'-(9-acridinylamino)-3'-methoxy-, AMSACRINE [HSDB], AMSACRINE [IARC], AMSACRINE [USAN], CHEMBL43, AMSACRINE [VANDF], AMSACRINE [MART.], NCI-249992, AMSACRINE [WHO-DD], Methanesulfon-m-anisidide, 4'-(9-acridinylamino)-, SN-21429, DTXSID4022604, Cain's Acridine, 5-22-11-00030 (Beilstein Handbook Reference), meta-AMSA, AMSA P-D, AMSACRINE (IARC), Amsacrinum (INN-Latin), N-[4-(acridin-9-ylamino)-3-(methyloxy)phenyl]methanesulfonamide, Amsacrina (INN-Spanish), N-{4-[(ACRIDIN-9-YL)AMINO]-3-METHOXYPHENYL}METHANESULFONAMIDE, NSC156303, AMSACRINE (MART.), C21H19N3O3S, m-AMSA hydrochloride, acridinyl anisidide hydrochloride, Amecrin, Cains Acridine, Cain Acridine, MLS002153376, meta AMSA, nAMSA, SN11841, AMSA PD, Amsacrine (USAN/INN), AMSA P D, SMR000875352, UNII-00DPD30SOY, AMSA, M-, N-(4-((acridin-9-yl)amino)-3-methoxyphenyl)methanesulfonamide, ASW, MFCD00242748, Amsacrine (Standard), Lopac-A-9809, NCIMech_000607, Neuro_000118, SCHEMBL4047, Lopac0_000154, MLS006010099, cid_148673, DTXCID002604, BDBM87351, HMS3748E05, N-[4-(9-Acridinylamino)-3-methoxy-phenyl]methanesulfonamide, BCP08958, CCG-35555, HY-13551R, AKOS015917522, CS-1942, DB00276, SDCCGSBI-0050142.P003, NCGC00015113-01, NCGC00015113-02, NCGC00015113-03, NCGC00015113-04, NCGC00093644-07, NCGC00093644-10, NCGC00162077-01, AS-11665, DA-50187, HY-13551, NCI60_001995, SMR000857391, WLN: T C666 BNJ IMR BO1 DMSW1, DB-082052, NS00008525, C01553, C75400, D02321, 4'-(9-Acridinylamino)methane-sulfon-m-anisidide, 4'-(9-Acridinylamino)methanesulfonyl m-anisidide, EN300-7481264, 4'-(9-Acridinylamino)-methylsulfonyl-m-anisidine, 4'-(9-Acridinylamino)-3'-methoxymethanesulfonanlide, Q2784004, BRD-K68346641-001-01-4, BRD-K68346641-001-02-2, Methanesulfonanilide,4'-(9-acridinylamino)-3'methoxy-, N-[4-(9-acridinylamino)-3-methoxyphenyl]methanesulfonamide, hydrochloride, N-[4-(acridin-9-ylamino)-3-methoxy-phenyl]methanesulfonamide, hydrochloride, 257-094-3
Ghose Rule True
Classyfire Kingdom Organic compounds
Topological Polar Surface Area 88.7
Hydrogen Bond Donor Count 2.0
Pfizer 3 75 Rule False
Scaffold Graph Level C1CCC(CC2C3CCCCC3CC3CCCCC32)CC1
Np Classifier Class Quinazoline alkaloids
Deep Smiles COcccccc6Nccccccc6ncc%10cccc6))))))))))))))))))NS=O)=O)C
Heavy Atom Count 28.0
Classyfire Class Quinolines and derivatives
Scaffold Graph Node Level C1CCC(NC2C3CCCCC3NC3CCCCC32)CC1
Classyfire Subclass Benzoquinolines
Isotope Atom Count 0.0
Molecular Complexity 601.0
Database Name hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Uniprot Id P10635, P08183, Q12809, P11388, Q02880, n.a., O15245, Q99714, P42226, P55210, P51151, P42345, P16473, Q16665, P15917, P06280, P08482, P40225, Q653V4, P04637, P29466, P08684, P11712, Q06278, Q9Z0U5, P80456, Q96QE3, Q16236, P21728, O89049, P13267, Q96KQ7, P83916, P05177, Q99700, P49798, P39748, O94782, P11021, Q53662, O95342, Q92887, O15438, O15439, P0DTD1
Iupac Name N-[4-(acridin-9-ylamino)-3-methoxyphenyl]methanesulfonamide
Class Quinolines and derivatives
Veber Rule True
Classyfire Superclass Organoheterocyclic compounds
Xlogp 4.0
Superclass Organoheterocyclic compounds
Subclass Benzoquinolines
Gsk 4 400 Rule False
Molecular Formula C21H19N3O3S
Scaffold Graph Node Bond Level c1ccc(Nc2c3ccccc3nc3ccccc23)cc1
Inchi Key XCPGHVQEEXUHNC-UHFFFAOYSA-N
Silicos It Class Poorly soluble
Rotatable Bond Count 5.0
State Solid
Synonyms 4'-(9-Acridinylamino)-3'-methoxymethanesulfonanilide, 4'-(9-Acridinylamino)methanesulfon-m-anisidide, 4'-(9-Acridinylamino)methanesulfon-meta-anisidide, 4'-(9-Acridinylamino)methanesulphon-m-anisidide, Amsacrina, Amsacrinum, MAMSA, Amsidyl, 4'-(9-Acridinylamino)-3'-methoxymethanesulphonanilide, 4'-(9-Acridinylamino)methanesulphon-meta-anisidide, Acridinyl anisidide, m-AMSA, AMSA, Cain acridine, Meta amsa, AMSA p D, Amsidine, Cains acridine, Meta-amsa, AMSA PD, Cain's acridine, AMSA p-D, lamarkine
Esol Class Moderately soluble
Functional Groups cNS(C)(=O)=O, cNc, cOC, cnc
Compound Name Amsacrine
Kingdom Organic compounds
Exact Mass 393.115
Formal Charge 0.0
Monoisotopic Mass 393.115
Hydrogen Bond Acceptor Count 6.0
Molecular Weight 393.5
Gi Absorption True
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Molecular Framework Aromatic heteropolycyclic compounds
Lipinski Rule Of 5 True
Inchi InChI=1S/C21H19N3O3S/c1-27-20-13-14(24-28(2,25)26)11-12-19(20)23-21-15-7-3-5-9-17(15)22-18-10-6-4-8-16(18)21/h3-13,24H,1-2H3,(H,22,23)
Smiles COC1=C(C=CC(=C1)NS(=O)(=O)C)NC2=C3C=CC=CC3=NC4=CC=CC=C42
Np Classifier Biosynthetic Pathway Alkaloids
Defined Bond Stereocenter Count 0.0
Egan Rule True
Taxonomy Direct Parent Acridines
Np Classifier Superclass Anthranilic acid alkaloids

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