Basic information
- Standard SMILES
CCOC(=O)c1c(CN(CC)CC)nc2cc(OC)c(OC)cc2c1-c1ccc(OC)c(OC)c1- InChIKey
KKRVTCAJIIEFMX-UHFFFAOYSA-N- Molecular formula
- C27H34N2O6
- Average molar mass
- 482.6 g/mol
- Monoisotopic mass
- 482.24168681
Names & identifiers
- Preferred name
- ethyl 2-(N,N-diethylaminomethyl)-4-(3,4-dimethoxyphenyl)-6,7-dimethoxyquinoline-3-carboxylate
- IUPAC
- ethyl 2-(diethylaminomethyl)-4-(3,4-dimethoxyphenyl)-6,7-dimethoxyquinoline-3-carboxylate
Names & synonyms
SCHEMBL8137960KKRVTCAJIIEFMX-UHFFFAOYSA-Nethyl 2-(N,N-diethylaminomethyl)-4-(3,4-dimethoxyphenyl)-6,7-dimethoxyquinoline-3-carboxylate
Database identifiers
- PubChem CID
- 9956900
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 79.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 12
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 647
Related reactions
2 records
Compound notes
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