Basic information
- Standard SMILES
CCOC(=O)c1ccc(C(CC(C)C)Nc2cnc3cc(C)ccc3c2)cc1- InChIKey
KXPCJCISTYNTKM-UHFFFAOYSA-N- Molecular formula
- C24H28N2O2
- Average molar mass
- 376.5 g/mol
Names & identifiers
- Preferred name
- 4-[3-Methyl-1-(7-methyl-quinoline-3-ylamino)-butyl]-benzoic acid ethyl ester
- IUPAC
- ethyl 4-[3-methyl-1-[(7-methylquinolin-3-yl)amino]butyl]benzoate
Names & synonyms
SCHEMBL14661160KXPCJCISTYNTKM-UHFFFAOYSA-N4-[3-Methyl-1-(7-methyl-quinoline-3-ylamino)-butyl]-benzoic acid ethyl ester4-[3-Methyl-1-(7-methyl-quinoline-3-ylamino)-butyl]benzoic acid ethyl ester
Database identifiers
- PubChem CID
- 71239345
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 51.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 487
Related reactions
4 records
Compound notes
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