N-(3,5-difluorophenyl)-2-methyl-4-oxo-1H-quinoline-6-carboxamide

C17H12F2N2O2 — CID 39849554

IUPACN-(3,5-difluorophenyl)-2-methyl-4-oxo-1H-quinoline-6-carboxamide
SMILESCc1cc(=O)c2cc(C(=O)Nc3cc(F)cc(F)c3)ccc2[nH]1
InChIInChI=1S/C17H12F2N2O2/c1-9-4-16(22)14-5-10(2-3-15(14)20-9)17(23)21-13-7-11(18)6-12(19)8-13/h2-8H,1H3,(H,20,22)(H,21,23)
InChIKeyPJAVVINQQIHFTL-UHFFFAOYSA-N
MW314.29 g/mol
LogP3.37
Rot. Bonds2

About N-(3,5-difluorophenyl)-2-methyl-4-oxo-1H-quinoline-6-carboxamide

N-(3,5-difluorophenyl)-2-methyl-4-oxo-1H-quinoline-6-carboxamide (PubChem CID 39849554) has the molecular formula C17H12F2N2O2 and a molecular weight of 314.29 g/mol. Its IUPAC name is N-(3,5-difluorophenyl)-2-methyl-4-oxo-1H-quinoline-6-carboxamide.

Molecular Properties

Compound NameN-(3,5-difluorophenyl)-2-methyl-4-oxo-1H-quinoline-6-carboxamide
PubChem CID39849554
Molecular FormulaC17H12F2N2O2
Molecular Weight314.29 g/mol
Exact Mass314.09
IUPAC NameN-(3,5-difluorophenyl)-2-methyl-4-oxo-1H-quinoline-6-carboxamide
SMILESCc1cc(=O)c2cc(C(=O)Nc3cc(F)cc(F)c3)ccc2[nH]1
InChIInChI=1S/C17H12F2N2O2/c1-9-4-16(22)14-5-10(2-3-15(14)20-9)17(23)21-13-7-11(18)6-12(19)8-13/h2-8H,1H3,(H,20,22)(H,21,23)
InChIKeyPJAVVINQQIHFTL-UHFFFAOYSA-N
XLogP3.37
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.29
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-chlorophenyl)-2-methyl-4-oxo-1H-quinoline-6-carboxamide
CID 29204953
4-methoxy-N-(2-methyl-4-oxo-1H-quinolin-6-yl)benzamide
CID 39849013
N-[4-(diethylsulfamoyl)phenyl]-2-methyl-4-oxo-1H-quinoline-6-carboxamide
CID 39849550
3-methoxy-N-(2-methyl-4-oxo-1H-quinolin-6-yl)benzamide
CID 39848932
N-(3-fluorophenyl)-2,3-dimethyl-1H-indole-5-carboxamide
CID 26579048
propyl 2-methyl-4-oxo-1H-quinoline-6-carboxylate
CID 7109613
N-(3,5-difluorophenyl)-3,4-dimethoxybenzamide
CID 7336959
3-acetamido-N-(3,5-difluorophenyl)benzamide
CID 17427227
4-(butanoylamino)-N-(3,5-difluorophenyl)benzamide
CID 17271977
N-(2-ethyl-4-oxo-1H-quinolin-6-yl)-5-fluoropyridine-3-carboxamide
CID 75501253
4-N-(3,5-dimethylphenyl)-1-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049661
3-bromo-4-chloro-N-(3,5-difluorophenyl)benzamide
CID 114025876

Frequently Asked Questions

What is the IUPAC name of N-(3,5-difluorophenyl)-2-methyl-4-oxo-1H-quinoline-6-carboxamide?
The IUPAC name of N-(3,5-difluorophenyl)-2-methyl-4-oxo-1H-quinoline-6-carboxamide (CID 39849554) is N-(3,5-difluorophenyl)-2-methyl-4-oxo-1H-quinoline-6-carboxamide.
What is the SMILES notation for N-(3,5-difluorophenyl)-2-methyl-4-oxo-1H-quinoline-6-carboxamide?
The canonical SMILES for N-(3,5-difluorophenyl)-2-methyl-4-oxo-1H-quinoline-6-carboxamide is Cc1cc(=O)c2cc(C(=O)Nc3cc(F)cc(F)c3)ccc2[nH]1.
What is the InChIKey of N-(3,5-difluorophenyl)-2-methyl-4-oxo-1H-quinoline-6-carboxamide?
The InChIKey is PJAVVINQQIHFTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F2N2O2/c1-9-4-16(22)14-5-10(2-3-15(14)20-9)17(23)21-13-7-11(18)6-12(19)8-13/h2-8H,1H3,(H,20,22)(H,21,23).
What are the key properties of N-(3,5-difluorophenyl)-2-methyl-4-oxo-1H-quinoline-6-carboxamide?
N-(3,5-difluorophenyl)-2-methyl-4-oxo-1H-quinoline-6-carboxamide has a molecular weight of 314.29 g/mol, XLogP of 3.37, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-difluorophenyl)-2-methyl-4-oxo-1H-quinoline-6-carboxamide is sourced from PubChem (CID 39849554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).