N-(2-((3-Cyano-6-methylquinolin-2-yl)amino)ethyl)-3,5-dimethoxybenzamide

HCID 3752811

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Basic information

CAS: 606105-52-6
Standard SMILES: COc1cc(OC)cc(C(=O)NCCNc2nc3ccc(C)cc3cc2C#N)c1
InChIKey: QSKLLMQGRDUABS-UHFFFAOYSA-N
Molecular formula: C22H22N4O3
Average molar mass: 390.4 g/mol
Monoisotopic mass: 390.16919058

Names & identifiers

Preferred name: N-(2-((3-Cyano-6-methylquinolin-2-yl)amino)ethyl)-3,5-dimethoxybenzamide
IUPAC: N-[2-[(3-cyano-6-methylquinolin-2-yl)amino]ethyl]-3,5-dimethoxybenzamide
English name: Benzamide, N-[2-[(3-cyano-6-methyl-2-quinolinyl)amino]ethyl]-3,5-dimethoxy- (9CI)
Molecular formula: C22H22N4O3
Molecular weight: 390.44

Names & synonyms

606105-52-6N-(2-((3-Cyano-6-methylquinolin-2-yl)amino)ethyl)-3,5-dimethoxybenzamideN-{2-[(3-cyano-6-methylquinolin-2-yl)amino]ethyl}-3,5-dimethoxybenzamideDTXSID50395938N-{2-[(3-Cyano-6-methyl-2-quinolinyl)amino]ethyl}-3,5-dimethoxybenzamideBenzamide, N-[2-[(3-cyano-6-methyl-2-quinolinyl)amino]ethyl]-3,5-dimethoxy-Benzamide, N-[2-[(3-cyano-6-methyl-2-quinolinyl)amino]ethyl]-3,5-dimethoxy- (9CI)

Database identifiers

CAS: 606105-52-6
PubChem CID: 3752811
DTXSID: DTXSID50395938

Properties

Computed structural properties

XLogP: 4.1
Topological polar surface area: 96.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 6
Rotatable bonds: 7
Heavy atoms: 29
Formal charge: 0
Complexity: 580

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