6-fluoro-4-oxo-1-[4-(4-oxobutan-2-yl)phenyl]quinoline-3-carboxamide

C20H17FN2O3 — CID 174667318

IUPAC6-fluoro-4-oxo-1-[4-(4-oxobutan-2-yl)phenyl]quinoline-3-carboxamide
SMILESCC(CC=O)c1ccc(-n2cc(C(N)=O)c(=O)c3cc(F)ccc32)cc1
InChIInChI=1S/C20H17FN2O3/c1-12(8-9-24)13-2-5-15(6-3-13)23-11-17(20(22)26)19(25)16-10-14(21)4-7-18(16)23/h2-7,9-12H,8H2,1H3,(H2,22,26)
InChIKeyBRFXEYSHLYQZDC-UHFFFAOYSA-N
MW352.37 g/mol
LogP2.92
Rot. Bonds5

About 6-fluoro-4-oxo-1-[4-(4-oxobutan-2-yl)phenyl]quinoline-3-carboxamide

6-fluoro-4-oxo-1-[4-(4-oxobutan-2-yl)phenyl]quinoline-3-carboxamide (PubChem CID 174667318) has the molecular formula C20H17FN2O3 and a molecular weight of 352.37 g/mol. Its IUPAC name is 6-fluoro-4-oxo-1-[4-(4-oxobutan-2-yl)phenyl]quinoline-3-carboxamide.

Molecular Properties

Compound Name6-fluoro-4-oxo-1-[4-(4-oxobutan-2-yl)phenyl]quinoline-3-carboxamide
PubChem CID174667318
Molecular FormulaC20H17FN2O3
Molecular Weight352.37 g/mol
Exact Mass352.12
IUPAC Name6-fluoro-4-oxo-1-[4-(4-oxobutan-2-yl)phenyl]quinoline-3-carboxamide
SMILESCC(CC=O)c1ccc(-n2cc(C(N)=O)c(=O)c3cc(F)ccc32)cc1
InChIInChI=1S/C20H17FN2O3/c1-12(8-9-24)13-2-5-15(6-3-13)23-11-17(20(22)26)19(25)16-10-14(21)4-7-18(16)23/h2-7,9-12H,8H2,1H3,(H2,22,26)
InChIKeyBRFXEYSHLYQZDC-UHFFFAOYSA-N
XLogP2.92
TPSA82.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1-[4-(1,3-dihydroxy-2-methylpropan-2-yl)phenyl]-6-fluoro-4-oxoquinoline-3-carboxamide
CID 174655680
1-(4-fluorophenyl)-4-oxo-7-pyridin-4-ylquinoline-3-carboxamide;methanesulfonic acid;hydrate
CID 88616639
ethyl 7-acetyl-6-fluoro-1-(4-fluorophenyl)-4-oxoquinoline-3-carboxylate
CID 70395461
1-(4-fluorophenyl)-4-oxo-6-(2-pyridin-3-ylpiperidin-1-yl)quinoline-3-carboxamide
CID 121447898
6-[[(3,3-difluorocyclobutyl)-methylamino]methyl]-8-fluoro-1-(4-fluorophenyl)-4-oxoquinoline-3-carboxamide
CID 121447880
5-fluoro-2-(4-oxobutan-2-yl)benzoic acid
CID 117300012
6-[(4,4-difluoropiperidin-1-yl)methyl]-8-fluoro-1-(4-fluorophenyl)-4-oxoquinoline-3-carboxamide
CID 121447936
1-(6-amino-3,5-difluoro-2-pyridinyl)-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 143136205
(5E)-5-ethylidene-1-(4-ethylphenyl)-6-methylidene-4-oxopyridine-3-carboxamide
CID 143666447
1-(3-fluoro-4-hydroxyphenyl)-5,6,7-trimethoxy-4-oxoquinoline-3-carboxamide
CID 155660331
6-fluoro-1-methyl-4-oxo-N-[(2R)-4-phenylbutan-2-yl]quinoline-3-carboxamide
CID 30133417
1-(3,4-dimethoxyphenyl)-6-methoxy-4-oxoquinoline-3-carboxylic acid
CID 139890801

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-4-oxo-1-[4-(4-oxobutan-2-yl)phenyl]quinoline-3-carboxamide?
The IUPAC name of 6-fluoro-4-oxo-1-[4-(4-oxobutan-2-yl)phenyl]quinoline-3-carboxamide (CID 174667318) is 6-fluoro-4-oxo-1-[4-(4-oxobutan-2-yl)phenyl]quinoline-3-carboxamide.
What is the SMILES notation for 6-fluoro-4-oxo-1-[4-(4-oxobutan-2-yl)phenyl]quinoline-3-carboxamide?
The canonical SMILES for 6-fluoro-4-oxo-1-[4-(4-oxobutan-2-yl)phenyl]quinoline-3-carboxamide is CC(CC=O)c1ccc(-n2cc(C(N)=O)c(=O)c3cc(F)ccc32)cc1.
What is the InChIKey of 6-fluoro-4-oxo-1-[4-(4-oxobutan-2-yl)phenyl]quinoline-3-carboxamide?
The InChIKey is BRFXEYSHLYQZDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O3/c1-12(8-9-24)13-2-5-15(6-3-13)23-11-17(20(22)26)19(25)16-10-14(21)4-7-18(16)23/h2-7,9-12H,8H2,1H3,(H2,22,26).
What are the key properties of 6-fluoro-4-oxo-1-[4-(4-oxobutan-2-yl)phenyl]quinoline-3-carboxamide?
6-fluoro-4-oxo-1-[4-(4-oxobutan-2-yl)phenyl]quinoline-3-carboxamide has a molecular weight of 352.37 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4-oxo-1-[4-(4-oxobutan-2-yl)phenyl]quinoline-3-carboxamide is sourced from PubChem (CID 174667318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).