6-chloro-2-(2-methoxyphenyl)-N-pyridin-4-ylquinoline-4-carboxamide

C22H16ClN3O2 — CID 2965510

IUPAC6-chloro-2-(2-methoxyphenyl)-N-pyridin-4-ylquinoline-4-carboxamide
SMILESCOc1ccccc1-c1cc(C(=O)Nc2ccncc2)c2cc(Cl)ccc2n1
InChIInChI=1S/C22H16ClN3O2/c1-28-21-5-3-2-4-16(21)20-13-18(17-12-14(23)6-7-19(17)26-20)22(27)25-15-8-10-24-11-9-15/h2-13H,1H3,(H,24,25,27)
InChIKeyYIHSUBSCPWEGDI-UHFFFAOYSA-N
MW389.84 g/mol
LogP5.21
Rot. Bonds4

About 6-chloro-2-(2-methoxyphenyl)-N-pyridin-4-ylquinoline-4-carboxamide

6-chloro-2-(2-methoxyphenyl)-N-pyridin-4-ylquinoline-4-carboxamide (PubChem CID 2965510) has the molecular formula C22H16ClN3O2 and a molecular weight of 389.84 g/mol. Its IUPAC name is 6-chloro-2-(2-methoxyphenyl)-N-pyridin-4-ylquinoline-4-carboxamide.

Molecular Properties

Compound Name6-chloro-2-(2-methoxyphenyl)-N-pyridin-4-ylquinoline-4-carboxamide
PubChem CID2965510
Molecular FormulaC22H16ClN3O2
Molecular Weight389.84 g/mol
Exact Mass389.09
IUPAC Name6-chloro-2-(2-methoxyphenyl)-N-pyridin-4-ylquinoline-4-carboxamide
SMILESCOc1ccccc1-c1cc(C(=O)Nc2ccncc2)c2cc(Cl)ccc2n1
InChIInChI=1S/C22H16ClN3O2/c1-28-21-5-3-2-4-16(21)20-13-18(17-12-14(23)6-7-19(17)26-20)22(27)25-15-8-10-24-11-9-15/h2-13H,1H3,(H,24,25,27)
InChIKeyYIHSUBSCPWEGDI-UHFFFAOYSA-N
XLogP5.21
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.84
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-2-(2-methoxyphenyl)-N-[(1S)-1-pyridin-4-ylethyl]quinoline-4-carboxamide
CID 7472546
6-chloro-N-(3,4-dimethoxyphenyl)-2-pyridin-2-ylquinoline-4-carboxamide
CID 2220682
2-(2,5-dimethoxyphenyl)-N-pyridin-4-ylquinoline-4-carboxamide
CID 1225611
2-(2,4-dichlorophenyl)-N-pyridin-4-ylquinoline-4-carboxamide
CID 3601091
N-(4-chlorophenyl)-2-(2,4-dimethoxyphenyl)quinoline-4-carboxamide
CID 4150006
N-(4-chlorophenyl)-2-(2-methylphenyl)quinoline-4-carboxamide
CID 5069156
6-chloro-N-(5-chloro-2,4-dimethoxyphenyl)-2-pyridin-3-ylquinoline-4-carboxamide
CID 1261484
methyl 2-[[2-(2-methoxyphenyl)quinoline-4-carbonyl]amino]benzoate
CID 1012430
6-chloro-2-(2,4-dimethoxyphenyl)quinoline-4-carboxylic acid
CID 138811121
6-chloro-N-naphthalen-2-yl-2-pyridin-3-ylquinoline-4-carboxamide
CID 25179905
6-methyl-N,2-dipyridin-4-ylquinoline-4-carboxamide
CID 899146
N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 56552567

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(2-methoxyphenyl)-N-pyridin-4-ylquinoline-4-carboxamide?
The IUPAC name of 6-chloro-2-(2-methoxyphenyl)-N-pyridin-4-ylquinoline-4-carboxamide (CID 2965510) is 6-chloro-2-(2-methoxyphenyl)-N-pyridin-4-ylquinoline-4-carboxamide.
What is the SMILES notation for 6-chloro-2-(2-methoxyphenyl)-N-pyridin-4-ylquinoline-4-carboxamide?
The canonical SMILES for 6-chloro-2-(2-methoxyphenyl)-N-pyridin-4-ylquinoline-4-carboxamide is COc1ccccc1-c1cc(C(=O)Nc2ccncc2)c2cc(Cl)ccc2n1.
What is the InChIKey of 6-chloro-2-(2-methoxyphenyl)-N-pyridin-4-ylquinoline-4-carboxamide?
The InChIKey is YIHSUBSCPWEGDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClN3O2/c1-28-21-5-3-2-4-16(21)20-13-18(17-12-14(23)6-7-19(17)26-20)22(27)25-15-8-10-24-11-9-15/h2-13H,1H3,(H,24,25,27).
What are the key properties of 6-chloro-2-(2-methoxyphenyl)-N-pyridin-4-ylquinoline-4-carboxamide?
6-chloro-2-(2-methoxyphenyl)-N-pyridin-4-ylquinoline-4-carboxamide has a molecular weight of 389.84 g/mol, XLogP of 5.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(2-methoxyphenyl)-N-pyridin-4-ylquinoline-4-carboxamide is sourced from PubChem (CID 2965510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).