7-chloro-8-methyl-N-phenyl-2-pyridin-3-ylquinoline-4-carboxamide

C22H16ClN3O — CID 2220481

IUPAC7-chloro-8-methyl-N-phenyl-2-pyridin-3-ylquinoline-4-carboxamide
SMILESCc1c(Cl)ccc2c(C(=O)Nc3ccccc3)cc(-c3cccnc3)nc12
InChIInChI=1S/C22H16ClN3O/c1-14-19(23)10-9-17-18(22(27)25-16-7-3-2-4-8-16)12-20(26-21(14)17)15-6-5-11-24-13-15/h2-13H,1H3,(H,25,27)
InChIKeyLYABJBGNHQQGQR-UHFFFAOYSA-N
MW373.84 g/mol
LogP5.51
Rot. Bonds3

About 7-chloro-8-methyl-N-phenyl-2-pyridin-3-ylquinoline-4-carboxamide

7-chloro-8-methyl-N-phenyl-2-pyridin-3-ylquinoline-4-carboxamide (PubChem CID 2220481) has the molecular formula C22H16ClN3O and a molecular weight of 373.84 g/mol. Its IUPAC name is 7-chloro-8-methyl-N-phenyl-2-pyridin-3-ylquinoline-4-carboxamide.

Molecular Properties

Compound Name7-chloro-8-methyl-N-phenyl-2-pyridin-3-ylquinoline-4-carboxamide
PubChem CID2220481
Molecular FormulaC22H16ClN3O
Molecular Weight373.84 g/mol
Exact Mass373.10
IUPAC Name7-chloro-8-methyl-N-phenyl-2-pyridin-3-ylquinoline-4-carboxamide
SMILESCc1c(Cl)ccc2c(C(=O)Nc3ccccc3)cc(-c3cccnc3)nc12
InChIInChI=1S/C22H16ClN3O/c1-14-19(23)10-9-17-18(22(27)25-16-7-3-2-4-8-16)12-20(26-21(14)17)15-6-5-11-24-13-15/h2-13H,1H3,(H,25,27)
InChIKeyLYABJBGNHQQGQR-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

7-chloro-N-(3,4-dichlorophenyl)-8-methyl-2-phenylquinoline-4-carboxamide
CID 17368895
7-chloro-N-(2,3-dimethylphenyl)-8-methyl-2-phenylquinoline-4-carboxamide
CID 3769705
7-chloro-8-methyl-N-(1-methylpiperidin-1-ium-4-yl)-2-pyridin-3-ylquinoline-4-carboxamide
CID 7248332
8-chloro-N-(3-methylphenyl)-2-phenylquinoline-4-carboxamide
CID 3105380
2-[(7-chloro-8-methyl-2-phenylquinoline-4-carbonyl)amino]ethyl-dimethylazanium
CID 2220589
N-(4-hydroxyphenyl)-2-pyridin-3-ylquinoline-4-carboxamide
CID 39311131
N-(3-acetamidophenyl)-2-(1,3-benzodioxol-5-yl)-7-chloro-8-methylquinoline-4-carboxamide
CID 2965496
7-chloro-8-methyl-N-(1-methylpiperidin-4-yl)-2-phenylquinoline-4-carboxamide
CID 17372346
(7-chloro-8-methyl-2-pyridin-3-ylquinolin-4-yl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 17375501
6-chloro-N-naphthalen-2-yl-2-pyridin-3-ylquinoline-4-carboxamide
CID 25179905
7-chloro-8-methyl-2-pyridin-4-yl-N-[(1S)-1-pyridin-4-ylethyl]quinoline-4-carboxamide
CID 1261502
6-chloro-N-[4-(methylsulfamoyl)phenyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 2965443

Frequently Asked Questions

What is the IUPAC name of 7-chloro-8-methyl-N-phenyl-2-pyridin-3-ylquinoline-4-carboxamide?
The IUPAC name of 7-chloro-8-methyl-N-phenyl-2-pyridin-3-ylquinoline-4-carboxamide (CID 2220481) is 7-chloro-8-methyl-N-phenyl-2-pyridin-3-ylquinoline-4-carboxamide.
What is the SMILES notation for 7-chloro-8-methyl-N-phenyl-2-pyridin-3-ylquinoline-4-carboxamide?
The canonical SMILES for 7-chloro-8-methyl-N-phenyl-2-pyridin-3-ylquinoline-4-carboxamide is Cc1c(Cl)ccc2c(C(=O)Nc3ccccc3)cc(-c3cccnc3)nc12.
What is the InChIKey of 7-chloro-8-methyl-N-phenyl-2-pyridin-3-ylquinoline-4-carboxamide?
The InChIKey is LYABJBGNHQQGQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClN3O/c1-14-19(23)10-9-17-18(22(27)25-16-7-3-2-4-8-16)12-20(26-21(14)17)15-6-5-11-24-13-15/h2-13H,1H3,(H,25,27).
What are the key properties of 7-chloro-8-methyl-N-phenyl-2-pyridin-3-ylquinoline-4-carboxamide?
7-chloro-8-methyl-N-phenyl-2-pyridin-3-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 7-chloro-8-methyl-N-phenyl-2-pyridin-3-ylquinoline-4-carboxamide is sourced from PubChem (CID 2220481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).