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

C23H18ClN3O3 — CID 2220682

IUPAC6-chloro-N-(3,4-dimethoxyphenyl)-2-pyridin-2-ylquinoline-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(-c3ccccn3)nc3ccc(Cl)cc23)cc1OC
InChIInChI=1S/C23H18ClN3O3/c1-29-21-9-7-15(12-22(21)30-2)26-23(28)17-13-20(19-5-3-4-10-25-19)27-18-8-6-14(24)11-16(17)18/h3-13H,1-2H3,(H,26,28)
InChIKeyPRFQKXSVVZVQLR-UHFFFAOYSA-N
MW419.87 g/mol
LogP5.22
Rot. Bonds5

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

6-chloro-N-(3,4-dimethoxyphenyl)-2-pyridin-2-ylquinoline-4-carboxamide (PubChem CID 2220682) has the molecular formula C23H18ClN3O3 and a molecular weight of 419.87 g/mol. Its IUPAC name is 6-chloro-N-(3,4-dimethoxyphenyl)-2-pyridin-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(3,4-dimethoxyphenyl)-2-pyridin-2-ylquinoline-4-carboxamide
PubChem CID2220682
Molecular FormulaC23H18ClN3O3
Molecular Weight419.87 g/mol
Exact Mass419.10
IUPAC Name6-chloro-N-(3,4-dimethoxyphenyl)-2-pyridin-2-ylquinoline-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(-c3ccccn3)nc3ccc(Cl)cc23)cc1OC
InChIInChI=1S/C23H18ClN3O3/c1-29-21-9-7-15(12-22(21)30-2)26-23(28)17-13-20(19-5-3-4-10-25-19)27-18-8-6-14(24)11-16(17)18/h3-13H,1-2H3,(H,26,28)
InChIKeyPRFQKXSVVZVQLR-UHFFFAOYSA-N
XLogP5.22
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.87
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-2-(2-methoxyphenyl)-N-pyridin-4-ylquinoline-4-carboxamide
CID 2965510
methyl 4-[(2-pyridin-2-ylquinoline-4-carbonyl)amino]benzoate
CID 2220860
N-(3,4-dimethoxyphenyl)-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
CID 46352005
N-(4-carbamoylphenyl)-2-pyridin-2-ylquinoline-4-carboxamide
CID 26636560
N-(3,4-dimethoxyphenyl)-2-pyridin-2-yl-1,3-thiazole-4-carboxamide
CID 48846338
N-(4-carbamoyl-3-methylphenyl)-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide
CID 56516872
N-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide
CID 8973347
2-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)quinoline-4-carboxamide
CID 4557332
2-(3,4-dimethoxyphenyl)-N-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 2161835
6-chloro-N-naphthalen-2-yl-2-pyridin-3-ylquinoline-4-carboxamide
CID 25179905
6-chloro-N-[4-[(3-chlorobenzoyl)amino]-3-methoxyphenyl]quinoline-4-carboxamide
CID 156773715
N-(4-chlorophenyl)-2-(2,4-dimethoxyphenyl)quinoline-4-carboxamide
CID 4150006

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(3,4-dimethoxyphenyl)-2-pyridin-2-ylquinoline-4-carboxamide?
The IUPAC name of 6-chloro-N-(3,4-dimethoxyphenyl)-2-pyridin-2-ylquinoline-4-carboxamide (CID 2220682) is 6-chloro-N-(3,4-dimethoxyphenyl)-2-pyridin-2-ylquinoline-4-carboxamide.
What is the SMILES notation for 6-chloro-N-(3,4-dimethoxyphenyl)-2-pyridin-2-ylquinoline-4-carboxamide?
The canonical SMILES for 6-chloro-N-(3,4-dimethoxyphenyl)-2-pyridin-2-ylquinoline-4-carboxamide is COc1ccc(NC(=O)c2cc(-c3ccccn3)nc3ccc(Cl)cc23)cc1OC.
What is the InChIKey of 6-chloro-N-(3,4-dimethoxyphenyl)-2-pyridin-2-ylquinoline-4-carboxamide?
The InChIKey is PRFQKXSVVZVQLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN3O3/c1-29-21-9-7-15(12-22(21)30-2)26-23(28)17-13-20(19-5-3-4-10-25-19)27-18-8-6-14(24)11-16(17)18/h3-13H,1-2H3,(H,26,28).
What are the key properties of 6-chloro-N-(3,4-dimethoxyphenyl)-2-pyridin-2-ylquinoline-4-carboxamide?
6-chloro-N-(3,4-dimethoxyphenyl)-2-pyridin-2-ylquinoline-4-carboxamide has a molecular weight of 419.87 g/mol, XLogP of 5.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(3,4-dimethoxyphenyl)-2-pyridin-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 2220682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).