N-(2-((3-Cyano-8-methylquinolin-2-yl)amino)ethyl)-3,4-dimethoxybenzamide

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Basic information

CAS: 606105-18-4
Standard SMILES: COc1ccc(C(=O)NCCNc2nc3c(C)cccc3cc2C#N)cc1OC
InChIKey: YUTIFCZVCWLLRH-UHFFFAOYSA-N
Molecular formula: C22H22N4O3
Average molar mass: 390.4 g/mol
Monoisotopic mass: 390.16919058

Names & identifiers

Preferred name: N-(2-((3-Cyano-8-methylquinolin-2-yl)amino)ethyl)-3,4-dimethoxybenzamide
IUPAC: N-[2-[(3-cyano-8-methylquinolin-2-yl)amino]ethyl]-3,4-dimethoxybenzamide
English name: Benzamide, N-[2-[(3-cyano-8-methyl-2-quinolinyl)amino]ethyl]-3,4-dimethoxy- (9CI)
Molecular formula: C22H22N4O3
Molecular weight: 390.44

Names & synonyms

606105-18-4CHEMBL1583913N-(2-((3-Cyano-8-methylquinolin-2-yl)amino)ethyl)-3,4-dimethoxybenzamideN-[2-[(3-cyano-8-methylquinolin-2-yl)amino]ethyl]-3,4-dimethoxybenzamideN-{2-[(3-Cyano-8-methylquinolin-2-yl)amino]ethyl}-3,4-dimethoxybenzamideN-[2-(3-Cyano-8-methyl-quinolin-2-ylamino)-ethyl]-3,4-dimethoxy-benzamideMLS001212849SCHEMBL14235623DTXSID80390436HMS1684M07HMS2838E04BDBM50516902

Show more names

Benzamide, N-[2-[(3-cyano-8-methyl-2-quinolinyl)amino]ethyl]-3,4-dimethoxy-Benzamide, N-[2-[(3-cyano-8-methyl-2-quinolinyl)amino]ethyl]-3,4-dimethoxy- (9CI)

AKOS000765246SMR000503707ST50386436SR-01000341399SR-01000341399-1

Database identifiers

CAS: 606105-18-4
PubChem CID: 3217019
DTXSID: DTXSID80390436
ChEMBL: CHEMBL1583913

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: 592

Physicochemical properties

Comptox DTXSID: 80390436 · DTXSID80390436

Related reactions

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Compound notes

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