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Haplamine

PubChem CID: 648601

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Compound Synonyms HAPLAMINE, 52617-31-9, 9-methoxy-2,2-dimethyl-6H-pyrano[3,2-c]quinolin-5-one, MLS000073264, SMR000001289, 9-Methoxy-2,2-dimethyl-2,6-dihydro-pyrano[3,2-c]quinolin-5-one, Haplamine (6-Methoxyflindersine), 9-methoxy-2,2-dimethyl-2,6-dihydro-5H-pyrano[3,2-c]quinolin-5-one, 9-methoxy-2,2-dimethyl-6H-pyrano(3,2-c)quinolin-5-one, TNP00205, Opera_ID_1486, CBMicro_015460, Cambridge id 5255761, Oprea1_154408, Oprea1_706653, Oprea1_832596, SCHEMBL257952, cid_648601, CHEMBL1488010, BDBM36843, CHEBI:182487, DTXSID701346933, HMS2387D11, HMS3561F11, 9-methoxy-2,2-dimethyl-6-hydro-2H-pyrano[5,6-c]quinolin-5-one, STL443725, 5H-Pyrano[3,2-c]quinolin-5-one, 2,6-dihydro-9-methoxy-2,2-dimethyl-, AKOS005223971, CCG-202816, NCGC00017285-01, NCGC00017285-02, NCGC00017285-03, NCGC00017285-04, NCGC00017285-04!HAPLAMINE, NCGC00017285-06, NCGC00033691-02, NCGC00033691-03, BIM-0015490.P001, NS00097346, AG-690/34553026, AJ-738/21161007, BRD-K54293982-001-18-5, Q63408972, 9-methoxy-2,2-dimethyl-2H-pyrano[3,2-c]quinolin-5(6H)-one, 9-METHOXY-2,2-DIMETHYL-2H,5H,6H-PYRANO[3,2-C]QUINOLIN-5-ONE
Topological Polar Surface Area 47.6
Hydrogen Bond Donor Count 1.0
Heavy Atom Count 19.0
Isotope Atom Count 0.0
Molecular Complexity 464.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Uniprot Id P02545, B2RXH2, Q99714, P42858, P16473, P33261, P51450, P00352, Q03164, P15428, P11712, Q16236, P04637, Q96KQ7, Q9UIF8, Q96QE3, P83916, P84022, O75496, P17405, P43220, Q77YF9, Q9NUW8, O75874, n.a., Q9NR56
Iupac Name 9-methoxy-2,2-dimethyl-6H-pyrano[3,2-c]quinolin-5-one
Prediction Hob 1.0
Target Id NPT483, NPT48, NPT149, NPT1197, NPT210, NPT213, NPT94, NPT151, NPT212
Xlogp 2.0
Molecular Formula C15H15NO3
Prediction Swissadme 1.0
Inchi Key IXRKDGGGFFCRIR-UHFFFAOYSA-N
Fcsp3 0.2666666666666666
Logs -3.292
Rotatable Bond Count 1.0
Logd 3.029
Compound Name Haplamine
Prediction Hob Swissadme 1.0
Exact Mass 257.105
Formal Charge 0.0
Monoisotopic Mass 257.105
Hydrogen Bond Acceptor Count 3.0
Molecular Weight 257.279
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Esol -3.686465484210526
Inchi InChI=1S/C15H15NO3/c1-15(2)7-6-10-13(19-15)11-8-9(18-3)4-5-12(11)16-14(10)17/h4-8H,1-3H3,(H,16,17)
Smiles CC1(C=CC2=C(O1)C3=C(C=CC(=C3)OC)NC2=O)C
Nring 3.0
Defined Bond Stereocenter Count 0.0