Basic information
- Standard SMILES
COC(=O)c1cccc2c1NC(c1cccc(N3CCN(c4ccccc4C)CC3)c1)C(C)(C)C2- InChIKey
NSCWCMPRCWYERK-UHFFFAOYSA-N- Molecular formula
- C30H35N3O2
- Average molar mass
- 469.6 g/mol
Names & identifiers
- Preferred name
- 3,3-Dimethyl-2-[3-(4-o-tolyl-piperazin-1-yl)-phenyl]-1,2,3,4-tetrahydro-quinoline-8-carboxylic acid methyl ester
- IUPAC
- methyl 3,3-dimethyl-2-[3-[4-(2-methylphenyl)piperazin-1-yl]phenyl]-2,4-dihydro-1H-quinoline-8-carboxylate
Names & synonyms
SCHEMBL2535744NSCWCMPRCWYERK-UHFFFAOYSA-N3,3-dimethyl-2-[3-(4-o-tolyl-piperazin-1-yl)-phenyl]-1,2,3,4-tetrahydro-quinoline-8-carboxylic acid methyl ester
Database identifiers
- PubChem CID
- 67442822
Properties
Computed structural properties
- XLogP
- 6.6
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 718
Related reactions
5 records
Compound notes
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