2-[[4-(3-chlorophenyl)-3-cyano-6-methoxyquinolin-2-yl]amino]-N,N-dimethylacetamide

C21H19ClN4O2 — CID 68659691

IUPAC2-[[4-(3-chlorophenyl)-3-cyano-6-methoxyquinolin-2-yl]amino]-N,N-dimethylacetamide
SMILESCOc1ccc2nc(NCC(=O)N(C)C)c(C#N)c(-c3cccc(Cl)c3)c2c1
InChIInChI=1S/C21H19ClN4O2/c1-26(2)19(27)12-24-21-17(11-23)20(13-5-4-6-14(22)9-13)16-10-15(28-3)7-8-18(16)25-21/h4-10H,12H2,1-3H3,(H,24,25)
InChIKeyLGYNANZSBMBTES-UHFFFAOYSA-N
MW394.86 g/mol
LogP3.94
Rot. Bonds5

About 2-[[4-(3-chlorophenyl)-3-cyano-6-methoxyquinolin-2-yl]amino]-N,N-dimethylacetamide

2-[[4-(3-chlorophenyl)-3-cyano-6-methoxyquinolin-2-yl]amino]-N,N-dimethylacetamide (PubChem CID 68659691) has the molecular formula C21H19ClN4O2 and a molecular weight of 394.86 g/mol. Its IUPAC name is 2-[[4-(3-chlorophenyl)-3-cyano-6-methoxyquinolin-2-yl]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[4-(3-chlorophenyl)-3-cyano-6-methoxyquinolin-2-yl]amino]-N,N-dimethylacetamide
PubChem CID68659691
Molecular FormulaC21H19ClN4O2
Molecular Weight394.86 g/mol
Exact Mass394.12
IUPAC Name2-[[4-(3-chlorophenyl)-3-cyano-6-methoxyquinolin-2-yl]amino]-N,N-dimethylacetamide
SMILESCOc1ccc2nc(NCC(=O)N(C)C)c(C#N)c(-c3cccc(Cl)c3)c2c1
InChIInChI=1S/C21H19ClN4O2/c1-26(2)19(27)12-24-21-17(11-23)20(13-5-4-6-14(22)9-13)16-10-15(28-3)7-8-18(16)25-21/h4-10H,12H2,1-3H3,(H,24,25)
InChIKeyLGYNANZSBMBTES-UHFFFAOYSA-N
XLogP3.94
TPSA78.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.86
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-cyano-N-[2-(dimethylamino)-2-oxoethyl]-6-methoxy-4-phenylisoquinoline-1-carboxamide
CID 68520882
6-chloro-4-(3-chlorophenyl)-2-pentan-3-ylquinoline-3-carbonitrile
CID 86683066
2-amino-6-(3-chlorophenyl)-4-(3-methoxyphenyl)-5-methylpyridine-3-carbonitrile
CID 3322466
4-(3-chlorophenyl)-2-ethoxy-6-(3-methoxyphenyl)pyridine-3-carbonitrile
CID 4096252
2-(5-chloro-2-methoxyanilino)-N,N-dimethylacetamide
CID 28578226
2-(4-chloro-2-cyanoanilino)-N,N-dimethylacetamide
CID 62492640
3-cyano-N-ethyl-6-methoxy-4-phenylisoquinoline-1-carboxamide
CID 68518194
2-(3-chloroanilino)-6-methoxyquinoline-3-carboxylic acid
CID 10131496
4-(3-chlorophenyl)-2-(2,3-dihydroxypropyl)-6-methoxy-1-oxoisoquinoline-3-carbonitrile
CID 68718313
methyl 2-[6-bromo-4-(3-chlorophenyl)-2-methylquinolin-3-yl]acetate
CID 100654815
N,N'-bis(6-chloro-2-methoxyacridin-9-yl)nonane-1,9-diamine
CID 158996243
methyl 4-chloro-2-[(4-methoxyphenyl)methylamino]-3-methylquinoline-6-carboxylate
CID 156831006

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(3-chlorophenyl)-3-cyano-6-methoxyquinolin-2-yl]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[4-(3-chlorophenyl)-3-cyano-6-methoxyquinolin-2-yl]amino]-N,N-dimethylacetamide (CID 68659691) is 2-[[4-(3-chlorophenyl)-3-cyano-6-methoxyquinolin-2-yl]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[4-(3-chlorophenyl)-3-cyano-6-methoxyquinolin-2-yl]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[4-(3-chlorophenyl)-3-cyano-6-methoxyquinolin-2-yl]amino]-N,N-dimethylacetamide is COc1ccc2nc(NCC(=O)N(C)C)c(C#N)c(-c3cccc(Cl)c3)c2c1.
What is the InChIKey of 2-[[4-(3-chlorophenyl)-3-cyano-6-methoxyquinolin-2-yl]amino]-N,N-dimethylacetamide?
The InChIKey is LGYNANZSBMBTES-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4O2/c1-26(2)19(27)12-24-21-17(11-23)20(13-5-4-6-14(22)9-13)16-10-15(28-3)7-8-18(16)25-21/h4-10H,12H2,1-3H3,(H,24,25).
What are the key properties of 2-[[4-(3-chlorophenyl)-3-cyano-6-methoxyquinolin-2-yl]amino]-N,N-dimethylacetamide?
2-[[4-(3-chlorophenyl)-3-cyano-6-methoxyquinolin-2-yl]amino]-N,N-dimethylacetamide has a molecular weight of 394.86 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(3-chlorophenyl)-3-cyano-6-methoxyquinolin-2-yl]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 68659691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).