3,4-difluoro-N-(3-methyl-2-oxo-1H-quinolin-7-yl)benzamide

C17H12F2N2O2 — CID 110427991

IUPAC3,4-difluoro-N-(3-methyl-2-oxo-1H-quinolin-7-yl)benzamide
SMILESCc1cc2ccc(NC(=O)c3ccc(F)c(F)c3)cc2[nH]c1=O
InChIInChI=1S/C17H12F2N2O2/c1-9-6-10-2-4-12(8-15(10)21-16(9)22)20-17(23)11-3-5-13(18)14(19)7-11/h2-8H,1H3,(H,20,23)(H,21,22)
InChIKeyDVJJHTUZHXRGNL-UHFFFAOYSA-N
MW314.29 g/mol
LogP3.37
Rot. Bonds2

About 3,4-difluoro-N-(3-methyl-2-oxo-1H-quinolin-7-yl)benzamide

3,4-difluoro-N-(3-methyl-2-oxo-1H-quinolin-7-yl)benzamide (PubChem CID 110427991) has the molecular formula C17H12F2N2O2 and a molecular weight of 314.29 g/mol. Its IUPAC name is 3,4-difluoro-N-(3-methyl-2-oxo-1H-quinolin-7-yl)benzamide.

Molecular Properties

Compound Name3,4-difluoro-N-(3-methyl-2-oxo-1H-quinolin-7-yl)benzamide
PubChem CID110427991
Molecular FormulaC17H12F2N2O2
Molecular Weight314.29 g/mol
Exact Mass314.09
IUPAC Name3,4-difluoro-N-(3-methyl-2-oxo-1H-quinolin-7-yl)benzamide
SMILESCc1cc2ccc(NC(=O)c3ccc(F)c(F)c3)cc2[nH]c1=O
InChIInChI=1S/C17H12F2N2O2/c1-9-6-10-2-4-12(8-15(10)21-16(9)22)20-17(23)11-3-5-13(18)14(19)7-11/h2-8H,1H3,(H,20,23)(H,21,22)
InChIKeyDVJJHTUZHXRGNL-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

3-fluoro-N-(3-methyl-2-oxo-1H-quinolin-7-yl)benzamide
CID 110604374
3-chloro-N-(3-methyl-2-oxo-1H-quinolin-7-yl)benzamide
CID 110604388
3-methyl-N-(3-methyl-2-oxo-1H-quinolin-7-yl)benzamide
CID 110427940
2,3-dimethyl-N-(3-methyl-2-oxo-1H-quinolin-7-yl)quinoxaline-6-carboxamide
CID 110618929
N-(3-methyl-2-oxo-1H-quinolin-7-yl)propanamide
CID 110427931
5-fluoro-2-methyl-N-(3-methyl-2-oxo-1H-quinolin-7-yl)-1H-indole-3-carboxamide
CID 110613684
3-fluoro-4-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
CID 9453257
N-(3-methyl-2-oxo-1H-quinolin-7-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 110668240
3,4-difluoro-N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]benzamide
CID 131952585
N-(3,4-difluorophenyl)-1H-indole-5-carboxamide
CID 63718780
N-(3,4-difluorophenyl)naphthalene-2-carboxamide
CID 7771728
N-(3,4-difluorophenyl)-3-methyl-4-(methylamino)benzamide
CID 63210412

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-(3-methyl-2-oxo-1H-quinolin-7-yl)benzamide?
The IUPAC name of 3,4-difluoro-N-(3-methyl-2-oxo-1H-quinolin-7-yl)benzamide (CID 110427991) is 3,4-difluoro-N-(3-methyl-2-oxo-1H-quinolin-7-yl)benzamide.
What is the SMILES notation for 3,4-difluoro-N-(3-methyl-2-oxo-1H-quinolin-7-yl)benzamide?
The canonical SMILES for 3,4-difluoro-N-(3-methyl-2-oxo-1H-quinolin-7-yl)benzamide is Cc1cc2ccc(NC(=O)c3ccc(F)c(F)c3)cc2[nH]c1=O.
What is the InChIKey of 3,4-difluoro-N-(3-methyl-2-oxo-1H-quinolin-7-yl)benzamide?
The InChIKey is DVJJHTUZHXRGNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F2N2O2/c1-9-6-10-2-4-12(8-15(10)21-16(9)22)20-17(23)11-3-5-13(18)14(19)7-11/h2-8H,1H3,(H,20,23)(H,21,22).
What are the key properties of 3,4-difluoro-N-(3-methyl-2-oxo-1H-quinolin-7-yl)benzamide?
3,4-difluoro-N-(3-methyl-2-oxo-1H-quinolin-7-yl)benzamide 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 3,4-difluoro-N-(3-methyl-2-oxo-1H-quinolin-7-yl)benzamide is sourced from PubChem (CID 110427991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).