6-chloro-N-(2,4-dimethoxyphenyl)-2-methylquinoline-3-carboxamide

C19H17ClN2O3 — CID 17404602

IUPAC6-chloro-N-(2,4-dimethoxyphenyl)-2-methylquinoline-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cc3cc(Cl)ccc3nc2C)c(OC)c1
InChIInChI=1S/C19H17ClN2O3/c1-11-15(9-12-8-13(20)4-6-16(12)21-11)19(23)22-17-7-5-14(24-2)10-18(17)25-3/h4-10H,1-3H3,(H,22,23)
InChIKeyMGKOMACIIRYBFO-UHFFFAOYSA-N
MW356.81 g/mol
LogP4.47
Rot. Bonds4

About 6-chloro-N-(2,4-dimethoxyphenyl)-2-methylquinoline-3-carboxamide

6-chloro-N-(2,4-dimethoxyphenyl)-2-methylquinoline-3-carboxamide (PubChem CID 17404602) has the molecular formula C19H17ClN2O3 and a molecular weight of 356.81 g/mol. Its IUPAC name is 6-chloro-N-(2,4-dimethoxyphenyl)-2-methylquinoline-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(2,4-dimethoxyphenyl)-2-methylquinoline-3-carboxamide
PubChem CID17404602
Molecular FormulaC19H17ClN2O3
Molecular Weight356.81 g/mol
Exact Mass356.09
IUPAC Name6-chloro-N-(2,4-dimethoxyphenyl)-2-methylquinoline-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cc3cc(Cl)ccc3nc2C)c(OC)c1
InChIInChI=1S/C19H17ClN2O3/c1-11-15(9-12-8-13(20)4-6-16(12)21-11)19(23)22-17-7-5-14(24-2)10-18(17)25-3/h4-10H,1-3H3,(H,22,23)
InChIKeyMGKOMACIIRYBFO-UHFFFAOYSA-N
XLogP4.47
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-6-methoxy-2-methylquinoline-3-carboxamide
CID 33078369
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 6-methoxy-2-methylquinoline-3-carboxylate
CID 46676241
N-[3-chloro-2-(dimethylamino)phenyl]-6-methoxy-2-methylquinoline-3-carboxamide
CID 46485527
N-(3-acetamido-4-fluorophenyl)-6-methoxy-2-methylquinoline-3-carboxamide
CID 46632736
2-chloro-N-(2,4-dimethoxyphenyl)benzamide
CID 722324
N-(4-methoxyphenyl)-2,6-dimethylquinoline-3-carboxamide
CID 34742642
2-chloro-N-(2,4-dimethoxyphenyl)-4-methylbenzamide
CID 885610
4-chloro-2-[(2,4-dimethoxybenzoyl)amino]benzoic acid
CID 45436153
6-chloro-N-[(3,4-dimethoxyphenyl)methyl]-2-methylquinoline-3-carboxamide
CID 55474879
2-chloro-N-(2,4-dimethoxyphenyl)-7-fluoroquinoline-3-carboxamide
CID 110299190
6,8-dichloro-N-(2,4-dimethoxyphenyl)-2-oxochromene-3-carboxamide
CID 1264879
2,4-dichloro-N-(2,4-dimethoxyphenyl)-5-fluorobenzamide
CID 9192573

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2,4-dimethoxyphenyl)-2-methylquinoline-3-carboxamide?
The IUPAC name of 6-chloro-N-(2,4-dimethoxyphenyl)-2-methylquinoline-3-carboxamide (CID 17404602) is 6-chloro-N-(2,4-dimethoxyphenyl)-2-methylquinoline-3-carboxamide.
What is the SMILES notation for 6-chloro-N-(2,4-dimethoxyphenyl)-2-methylquinoline-3-carboxamide?
The canonical SMILES for 6-chloro-N-(2,4-dimethoxyphenyl)-2-methylquinoline-3-carboxamide is COc1ccc(NC(=O)c2cc3cc(Cl)ccc3nc2C)c(OC)c1.
What is the InChIKey of 6-chloro-N-(2,4-dimethoxyphenyl)-2-methylquinoline-3-carboxamide?
The InChIKey is MGKOMACIIRYBFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O3/c1-11-15(9-12-8-13(20)4-6-16(12)21-11)19(23)22-17-7-5-14(24-2)10-18(17)25-3/h4-10H,1-3H3,(H,22,23).
What are the key properties of 6-chloro-N-(2,4-dimethoxyphenyl)-2-methylquinoline-3-carboxamide?
6-chloro-N-(2,4-dimethoxyphenyl)-2-methylquinoline-3-carboxamide has a molecular weight of 356.81 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2,4-dimethoxyphenyl)-2-methylquinoline-3-carboxamide is sourced from PubChem (CID 17404602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).