2,2,4-Trimethyl-1,2-dihydroquinoline
PubChem CID: 8981
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| Compound Synonyms | 2,2,4-Trimethyl-1,2-dihydroquinoline, 147-47-7, 1,2-DIHYDRO-2,2,4-TRIMETHYLQUINOLINE, Acetone anil, Quinoline, 1,2-dihydro-2,2,4-trimethyl-, Flectol H, Acetonanil, 2,2,4-trimethyl-1H-quinoline, Agerite resin D, Flectol A, Flectol pastilles, Polnox R, Vulkanox HS/LG, Vulkanox HS/powder, NCI-C60902, Acetone anil (quinoline derivative), 2,2,4-Trimethyl-1,2-dihydroquinone, Trimethyl-1,2-dihydroquinoline, NSC 4175, MFCD00044248, 2,2,4-Trimethyl-1,2-dihydrochinolin, DTXSID0025070, 1,2-Dihydro-2,2,4-trimethylquinoline (monomer), NSC-4175, Antioxidant HS, 0553M374Q3, Antioxidant HSL, Permanax TQ, Polnoks R, Agerite MA, Antigene RDF, Nonflex RD, Permanax 45, Nocrac 224, Trimethyl dihydroquinoline, CCRIS 4795, CCRIS 4914, Acetone anil (quinoline deriv.), HSDB 1103, 1,2-Dihydro-2,2,4-trimethylquinoline (>85%), EINECS 205-688-8, Hydroquin, AI3-17714, 2,2,4-Trimethyl-1,2-dihydrochinolin [Czech], UNII-0553M374Q3, TMDQ, Good-rite 3140, Acetonanil (Salt/Mix), Acetonanyl (Salt/Mix), ANTIOXIDANT FR-SB, DSSTox_CID_5070, EC 500-051-3, DSSTox_RID_77651, DSSTox_GSID_25071, SCHEMBL44875, MLS002174246, CHEMBL294154, DTXCID605070, ZNRLMGFXSPUZNR-UHFFFAOYSA-, NSC4175, HMS1655H02, HMS3039L13, 2,4-Trimethyl-1,2-dihydroquinone, Tox21_201077, Tox21_202467, 2,4-Trimethyl-1,2-dihydroquinoline, AKOS000274374, FP40575, SB67449, WLN: T66 BM CHJ C1 C1 E1, NCGC00073733-02, NCGC00073733-03, NCGC00073733-04, NCGC00258630-01, NCGC00260016-01, AS-44332, CAS-147-47-7, FT153116, SMR001261421, SY029873, CAS-26780-96-1, DB-111020, CS-0046816, NS00010679, EN300-57908, A10817, D70537, 1,2-Dihydro-2,2,4-trimethylquinoline (85per cent), 1,2-DIHYDRO-2,2,4-TRIMETHYLQUINOLINE [HSDB], Q27236080, F1974-0002, Poly(1,2-dihydro-2,2,4-trimethylquinoline) Softening point 80-100 degrees C, 31014-67-2, InChI=1/C12H15N/c1-9-8-12(2,3)13-11-7-5-4-6-10(9)11/h4-8,13H,1-3H3 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 12.0 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC2CCCCC2C1 |
| Np Classifier Class | Quinoline alkaloids |
| Deep Smiles | CC=CCC)C)Ncc6cccc6 |
| Heavy Atom Count | 13.0 |
| Classyfire Class | Quinolines and derivatives |
| Scaffold Graph Node Level | C1CCC2NCCCC2C1 |
| Classyfire Subclass | Quinolones and derivatives |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 227.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,2,4-trimethyl-1H-quinoline |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 2.8 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C12H15N |
| Scaffold Graph Node Bond Level | C1=Cc2ccccc2NC1 |
| Inchi Key | ZNRLMGFXSPUZNR-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | 1,2-dihydro-2,2,4-trimethylquinoline |
| Esol Class | Soluble |
| Functional Groups | cC(C)=CC, cNC |
| Compound Name | 2,2,4-Trimethyl-1,2-dihydroquinoline |
| Exact Mass | 173.12 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 173.12 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 173.25 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C12H15N/c1-9-8-12(2,3)13-11-7-5-4-6-10(9)11/h4-8,13H,1-3H3 |
| Smiles | CC1=CC(NC2=CC=CC=C12)(C)C |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Tryptophan alkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Madhuca Longifolia (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2019.1667879