5,7-difluoro-N-(2-methoxyphenyl)-4-oxo-1H-quinoline-3-carboxamide

C17H12F2N2O3 — CID 39851635

IUPAC5,7-difluoro-N-(2-methoxyphenyl)-4-oxo-1H-quinoline-3-carboxamide
SMILESCOc1ccccc1NC(=O)c1c[nH]c2cc(F)cc(F)c2c1=O
InChIInChI=1S/C17H12F2N2O3/c1-24-14-5-3-2-4-12(14)21-17(23)10-8-20-13-7-9(18)6-11(19)15(13)16(10)22/h2-8H,1H3,(H,20,22)(H,21,23)
InChIKeyQECRLJPLTBKYTR-UHFFFAOYSA-N
MW330.29 g/mol
LogP3.07
Rot. Bonds3

About 5,7-difluoro-N-(2-methoxyphenyl)-4-oxo-1H-quinoline-3-carboxamide

5,7-difluoro-N-(2-methoxyphenyl)-4-oxo-1H-quinoline-3-carboxamide (PubChem CID 39851635) has the molecular formula C17H12F2N2O3 and a molecular weight of 330.29 g/mol. Its IUPAC name is 5,7-difluoro-N-(2-methoxyphenyl)-4-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name5,7-difluoro-N-(2-methoxyphenyl)-4-oxo-1H-quinoline-3-carboxamide
PubChem CID39851635
Molecular FormulaC17H12F2N2O3
Molecular Weight330.29 g/mol
Exact Mass330.08
IUPAC Name5,7-difluoro-N-(2-methoxyphenyl)-4-oxo-1H-quinoline-3-carboxamide
SMILESCOc1ccccc1NC(=O)c1c[nH]c2cc(F)cc(F)c2c1=O
InChIInChI=1S/C17H12F2N2O3/c1-24-14-5-3-2-4-12(14)21-17(23)10-8-20-13-7-9(18)6-11(19)15(13)16(10)22/h2-8H,1H3,(H,20,22)(H,21,23)
InChIKeyQECRLJPLTBKYTR-UHFFFAOYSA-N
XLogP3.07
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.29
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-fluorophenyl)-4,5,6-trimethoxy-1H-indole-3-carboxamide
CID 113206798
propan-2-yl 4-[(5,7-difluoro-4-oxo-1H-quinoline-3-carbonyl)amino]benzoate
CID 39850297
5,7-difluoro-N-(4-methyl-2-pyridinyl)-4-oxo-1H-quinoline-3-carboxamide
CID 39850308
6-amino-N-(2-methoxyphenyl)-1H-indole-3-carboxamide
CID 61089726
N-(2-ethoxyphenyl)-6-fluoro-1H-indole-3-carboxamide
CID 113206274
N-(2-methoxyphenyl)-4-oxo-8-(trifluoromethyl)-1H-quinoline-3-carboxamide
CID 42589534
N-(2,5-difluorophenyl)-4-oxo-1H-quinoline-3-carboxamide
CID 30131667
N-(2,4-difluorophenyl)-6-fluoro-4-oxo-1H-quinoline-3-carboxamide
CID 39849781
4-ethylsulfanyl-N-(2-methoxyphenyl)-6-oxo-1H-pyridine-3-carboxamide
CID 132918685
5,6-dimethoxy-N-(2-propan-2-yloxyphenyl)-1H-indole-3-carboxamide
CID 113206991
1-(6-fluoro-1H-indol-3-yl)-N-(2-methoxyphenyl)cyclopropane-1-carboxamide
CID 113211157
N-(2-methoxyphenyl)-2-oxo-1H-quinoline-4-carboxamide
CID 917217

Frequently Asked Questions

What is the IUPAC name of 5,7-difluoro-N-(2-methoxyphenyl)-4-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of 5,7-difluoro-N-(2-methoxyphenyl)-4-oxo-1H-quinoline-3-carboxamide (CID 39851635) is 5,7-difluoro-N-(2-methoxyphenyl)-4-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for 5,7-difluoro-N-(2-methoxyphenyl)-4-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for 5,7-difluoro-N-(2-methoxyphenyl)-4-oxo-1H-quinoline-3-carboxamide is COc1ccccc1NC(=O)c1c[nH]c2cc(F)cc(F)c2c1=O.
What is the InChIKey of 5,7-difluoro-N-(2-methoxyphenyl)-4-oxo-1H-quinoline-3-carboxamide?
The InChIKey is QECRLJPLTBKYTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F2N2O3/c1-24-14-5-3-2-4-12(14)21-17(23)10-8-20-13-7-9(18)6-11(19)15(13)16(10)22/h2-8H,1H3,(H,20,22)(H,21,23).
What are the key properties of 5,7-difluoro-N-(2-methoxyphenyl)-4-oxo-1H-quinoline-3-carboxamide?
5,7-difluoro-N-(2-methoxyphenyl)-4-oxo-1H-quinoline-3-carboxamide has a molecular weight of 330.29 g/mol, XLogP of 3.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-difluoro-N-(2-methoxyphenyl)-4-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 39851635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).