8-chloro-2-(2-methylphenyl)-N-pyridin-4-ylquinoline-4-carboxamide

C22H16ClN3O — CID 17371730

IUPAC8-chloro-2-(2-methylphenyl)-N-pyridin-4-ylquinoline-4-carboxamide
SMILESCc1ccccc1-c1cc(C(=O)Nc2ccncc2)c2cccc(Cl)c2n1
InChIInChI=1S/C22H16ClN3O/c1-14-5-2-3-6-16(14)20-13-18(17-7-4-8-19(23)21(17)26-20)22(27)25-15-9-11-24-12-10-15/h2-13H,1H3,(H,24,25,27)
InChIKeyGKCFXOHMNRXFTE-UHFFFAOYSA-N
MW373.84 g/mol
LogP5.51
Rot. Bonds3

About 8-chloro-2-(2-methylphenyl)-N-pyridin-4-ylquinoline-4-carboxamide

8-chloro-2-(2-methylphenyl)-N-pyridin-4-ylquinoline-4-carboxamide (PubChem CID 17371730) has the molecular formula C22H16ClN3O and a molecular weight of 373.84 g/mol. Its IUPAC name is 8-chloro-2-(2-methylphenyl)-N-pyridin-4-ylquinoline-4-carboxamide.

Molecular Properties

Compound Name8-chloro-2-(2-methylphenyl)-N-pyridin-4-ylquinoline-4-carboxamide
PubChem CID17371730
Molecular FormulaC22H16ClN3O
Molecular Weight373.84 g/mol
Exact Mass373.10
IUPAC Name8-chloro-2-(2-methylphenyl)-N-pyridin-4-ylquinoline-4-carboxamide
SMILESCc1ccccc1-c1cc(C(=O)Nc2ccncc2)c2cccc(Cl)c2n1
InChIInChI=1S/C22H16ClN3O/c1-14-5-2-3-6-16(14)20-13-18(17-7-4-8-19(23)21(17)26-20)22(27)25-15-9-11-24-12-10-15/h2-13H,1H3,(H,24,25,27)
InChIKeyGKCFXOHMNRXFTE-UHFFFAOYSA-N
XLogP5.51
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.84
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-chloro-N-(3-methylphenyl)-2-phenylquinoline-4-carboxamide
CID 3105380
2-(2-methylphenyl)-N-[3-[[2-(2-methylphenyl)quinoline-4-carbonyl]amino]phenyl]quinoline-4-carboxamide
CID 3276867
N-(4-chlorophenyl)-2-(2-methylphenyl)quinoline-4-carboxamide
CID 5069156
8-chloro-2-pyridin-4-yl-N-[2-(trifluoromethyl)phenyl]quinoline-4-carboxamide
CID 2220619
2-(2,4-dichlorophenyl)-N-pyridin-4-ylquinoline-4-carboxamide
CID 3601091
2-(2-chlorophenyl)-N-(2,6-dimethylphenyl)quinoline-4-carboxamide
CID 5128996
2-chloro-6-methyl-N-pyridin-4-ylbenzamide
CID 59618146
2-(2-chlorophenyl)-N-[4-(2-hydroxyprop-2-enylcarbamoyl)phenyl]-6,8-dimethylquinoline-4-carboxamide
CID 177319795
N-(4-butan-2-ylphenyl)-8-methyl-2-pyridin-4-ylquinoline-4-carboxamide
CID 17349145
2-(2-chlorophenyl)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-8-methylquinoline-4-carboxamide
CID 1261360
7-chloro-8-methyl-N-phenyl-2-pyridin-3-ylquinoline-4-carboxamide
CID 2220481
6-chloro-2-(2-methoxyphenyl)-N-pyridin-4-ylquinoline-4-carboxamide
CID 2965510

Frequently Asked Questions

What is the IUPAC name of 8-chloro-2-(2-methylphenyl)-N-pyridin-4-ylquinoline-4-carboxamide?
The IUPAC name of 8-chloro-2-(2-methylphenyl)-N-pyridin-4-ylquinoline-4-carboxamide (CID 17371730) is 8-chloro-2-(2-methylphenyl)-N-pyridin-4-ylquinoline-4-carboxamide.
What is the SMILES notation for 8-chloro-2-(2-methylphenyl)-N-pyridin-4-ylquinoline-4-carboxamide?
The canonical SMILES for 8-chloro-2-(2-methylphenyl)-N-pyridin-4-ylquinoline-4-carboxamide is Cc1ccccc1-c1cc(C(=O)Nc2ccncc2)c2cccc(Cl)c2n1.
What is the InChIKey of 8-chloro-2-(2-methylphenyl)-N-pyridin-4-ylquinoline-4-carboxamide?
The InChIKey is GKCFXOHMNRXFTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClN3O/c1-14-5-2-3-6-16(14)20-13-18(17-7-4-8-19(23)21(17)26-20)22(27)25-15-9-11-24-12-10-15/h2-13H,1H3,(H,24,25,27).
What are the key properties of 8-chloro-2-(2-methylphenyl)-N-pyridin-4-ylquinoline-4-carboxamide?
8-chloro-2-(2-methylphenyl)-N-pyridin-4-ylquinoline-4-carboxamide has a molecular weight of 373.84 g/mol, XLogP of 5.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2-(2-methylphenyl)-N-pyridin-4-ylquinoline-4-carboxamide is sourced from PubChem (CID 17371730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).