1-[(2-chloro-6-fluorophenyl)methyl]-N-(2-methylquinolin-4-yl)-2-oxopyridine-3-carboxamide

C23H17ClFN3O2 — CID 18582557

IUPAC1-[(2-chloro-6-fluorophenyl)methyl]-N-(2-methylquinolin-4-yl)-2-oxopyridine-3-carboxamide
SMILESCc1cc(NC(=O)c2cccn(Cc3c(F)cccc3Cl)c2=O)c2ccccc2n1
InChIInChI=1S/C23H17ClFN3O2/c1-14-12-21(15-6-2-3-10-20(15)26-14)27-22(29)16-7-5-11-28(23(16)30)13-17-18(24)8-4-9-19(17)25/h2-12H,13H2,1H3,(H,26,27,29)
InChIKeyKUFPMJDKAQWAJL-UHFFFAOYSA-N
MW421.86 g/mol
LogP4.80
Rot. Bonds4

About 1-[(2-chloro-6-fluorophenyl)methyl]-N-(2-methylquinolin-4-yl)-2-oxopyridine-3-carboxamide

1-[(2-chloro-6-fluorophenyl)methyl]-N-(2-methylquinolin-4-yl)-2-oxopyridine-3-carboxamide (PubChem CID 18582557) has the molecular formula C23H17ClFN3O2 and a molecular weight of 421.86 g/mol. Its IUPAC name is 1-[(2-chloro-6-fluorophenyl)methyl]-N-(2-methylquinolin-4-yl)-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-[(2-chloro-6-fluorophenyl)methyl]-N-(2-methylquinolin-4-yl)-2-oxopyridine-3-carboxamide
PubChem CID18582557
Molecular FormulaC23H17ClFN3O2
Molecular Weight421.86 g/mol
Exact Mass421.10
IUPAC Name1-[(2-chloro-6-fluorophenyl)methyl]-N-(2-methylquinolin-4-yl)-2-oxopyridine-3-carboxamide
SMILESCc1cc(NC(=O)c2cccn(Cc3c(F)cccc3Cl)c2=O)c2ccccc2n1
InChIInChI=1S/C23H17ClFN3O2/c1-14-12-21(15-6-2-3-10-20(15)26-14)27-22(29)16-7-5-11-28(23(16)30)13-17-18(24)8-4-9-19(17)25/h2-12H,13H2,1H3,(H,26,27,29)
InChIKeyKUFPMJDKAQWAJL-UHFFFAOYSA-N
XLogP4.80
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.86
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-fluorophenyl)methyl]-N-(2-methylquinolin-4-yl)-2-oxopyridine-3-carboxamide
CID 7598978
1-[(2-chloro-6-fluorophenyl)methyl]-N-(6-methyl-2-pyridinyl)-2-oxopyridine-3-carboxamide
CID 7598234
1-[(2-chloro-6-fluorophenyl)methyl]-N-(3-chloro-4-methylphenyl)-2-oxopyridine-3-carboxamide
CID 7598223
1-[(2-chloro-6-fluorophenyl)methyl]-N-(3,4-difluorophenyl)-2-oxopyridine-3-carboxamide
CID 7598199
3-[(2-chlorophenyl)methyl]-N-(2-methylquinolin-4-yl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 121027133
1-benzyl-N-(3-chloro-2-methylphenyl)-2-oxopyridine-3-carboxamide
CID 7422717
2-methyl-N-(2-methylquinolin-4-yl)benzamide
CID 3291896
N-[1-[(2-chloro-6-fluorophenyl)methyl]-2-oxo-3-pyridinyl]pyridine-3-carboxamide
CID 6488649
2-iodo-N-(2-methylquinolin-4-yl)benzamide
CID 60653788
8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-(2-methylquinolin-4-yl)imidazo[1,2-a]pyridine-3-carboxamide
CID 118145001
1-[(2-chlorophenyl)methyl]-N-(2,3-dimethylphenyl)-2-oxopyridine-3-carboxamide
CID 7598504
1-benzyl-N-(2,3-dichlorophenyl)-2-oxopyridine-3-carboxamide
CID 7422695

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-6-fluorophenyl)methyl]-N-(2-methylquinolin-4-yl)-2-oxopyridine-3-carboxamide?
The IUPAC name of 1-[(2-chloro-6-fluorophenyl)methyl]-N-(2-methylquinolin-4-yl)-2-oxopyridine-3-carboxamide (CID 18582557) is 1-[(2-chloro-6-fluorophenyl)methyl]-N-(2-methylquinolin-4-yl)-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-[(2-chloro-6-fluorophenyl)methyl]-N-(2-methylquinolin-4-yl)-2-oxopyridine-3-carboxamide?
The canonical SMILES for 1-[(2-chloro-6-fluorophenyl)methyl]-N-(2-methylquinolin-4-yl)-2-oxopyridine-3-carboxamide is Cc1cc(NC(=O)c2cccn(Cc3c(F)cccc3Cl)c2=O)c2ccccc2n1.
What is the InChIKey of 1-[(2-chloro-6-fluorophenyl)methyl]-N-(2-methylquinolin-4-yl)-2-oxopyridine-3-carboxamide?
The InChIKey is KUFPMJDKAQWAJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClFN3O2/c1-14-12-21(15-6-2-3-10-20(15)26-14)27-22(29)16-7-5-11-28(23(16)30)13-17-18(24)8-4-9-19(17)25/h2-12H,13H2,1H3,(H,26,27,29).
What are the key properties of 1-[(2-chloro-6-fluorophenyl)methyl]-N-(2-methylquinolin-4-yl)-2-oxopyridine-3-carboxamide?
1-[(2-chloro-6-fluorophenyl)methyl]-N-(2-methylquinolin-4-yl)-2-oxopyridine-3-carboxamide has a molecular weight of 421.86 g/mol, XLogP of 4.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-6-fluorophenyl)methyl]-N-(2-methylquinolin-4-yl)-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 18582557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).