3-(4-fluoroanilino)-2-oxo-1H-quinoline-4-carboxylic acid

C16H11FN2O3 — CID 139572181

IUPAC3-(4-fluoroanilino)-2-oxo-1H-quinoline-4-carboxylic acid
SMILESO=C(O)c1c(Nc2ccc(F)cc2)c(=O)[nH]c2ccccc12
InChIInChI=1S/C16H11FN2O3/c17-9-5-7-10(8-6-9)18-14-13(16(21)22)11-3-1-2-4-12(11)19-15(14)20/h1-8,18H,(H,19,20)(H,21,22)
InChIKeyIRCBTLYVAJMIBD-UHFFFAOYSA-N
MW298.27 g/mol
LogP3.11
Rot. Bonds3

About 3-(4-fluoroanilino)-2-oxo-1H-quinoline-4-carboxylic acid

3-(4-fluoroanilino)-2-oxo-1H-quinoline-4-carboxylic acid (PubChem CID 139572181) has the molecular formula C16H11FN2O3 and a molecular weight of 298.27 g/mol. Its IUPAC name is 3-(4-fluoroanilino)-2-oxo-1H-quinoline-4-carboxylic acid.

Molecular Properties

Compound Name3-(4-fluoroanilino)-2-oxo-1H-quinoline-4-carboxylic acid
PubChem CID139572181
Molecular FormulaC16H11FN2O3
Molecular Weight298.27 g/mol
Exact Mass298.08
IUPAC Name3-(4-fluoroanilino)-2-oxo-1H-quinoline-4-carboxylic acid
SMILESO=C(O)c1c(Nc2ccc(F)cc2)c(=O)[nH]c2ccccc12
InChIInChI=1S/C16H11FN2O3/c17-9-5-7-10(8-6-9)18-14-13(16(21)22)11-3-1-2-4-12(11)19-15(14)20/h1-8,18H,(H,19,20)(H,21,22)
InChIKeyIRCBTLYVAJMIBD-UHFFFAOYSA-N
XLogP3.11
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.27
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-3-(4-methylanilino)-2-oxo-1H-quinoline-4-carboxylic acid
CID 102480399
4,5-dianilino-3,6-difluorophthalic acid
CID 139627144
4-hydroxy-2-oxo-1H-quinoline-3-carboxylic acid
CID 54697499
4-methyl-2-oxo-N-phenyl-1H-quinoline-3-carboxamide
CID 24951306
2-(pyridin-3-ylamino)-1H-indole-3-carboxylic acid
CID 115146295
N-(4-fluorophenyl)-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide
CID 4187106
2-oxo-4-(3-phenylpropylamino)-1H-quinoline-3-carboxylic acid
CID 53349705
2-fluoro-6-(4-fluoroanilino)benzoic acid
CID 82296803
2-methyl-N-[4-(phenylcarbamoylamino)phenyl]-1H-indole-3-carboxamide
CID 24676897
(4-fluorophenyl)-[2-(trifluoromethyl)-1H-indol-3-yl]methanone
CID 131870896
2-anilino-3-chloronaphthalene-1-carboxylic acid
CID 57143139
2-(2-hydroxy-1H-indol-3-yl)-2-oxo-N-phenylacetamide
CID 44713902

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoroanilino)-2-oxo-1H-quinoline-4-carboxylic acid?
The IUPAC name of 3-(4-fluoroanilino)-2-oxo-1H-quinoline-4-carboxylic acid (CID 139572181) is 3-(4-fluoroanilino)-2-oxo-1H-quinoline-4-carboxylic acid.
What is the SMILES notation for 3-(4-fluoroanilino)-2-oxo-1H-quinoline-4-carboxylic acid?
The canonical SMILES for 3-(4-fluoroanilino)-2-oxo-1H-quinoline-4-carboxylic acid is O=C(O)c1c(Nc2ccc(F)cc2)c(=O)[nH]c2ccccc12.
What is the InChIKey of 3-(4-fluoroanilino)-2-oxo-1H-quinoline-4-carboxylic acid?
The InChIKey is IRCBTLYVAJMIBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN2O3/c17-9-5-7-10(8-6-9)18-14-13(16(21)22)11-3-1-2-4-12(11)19-15(14)20/h1-8,18H,(H,19,20)(H,21,22).
What are the key properties of 3-(4-fluoroanilino)-2-oxo-1H-quinoline-4-carboxylic acid?
3-(4-fluoroanilino)-2-oxo-1H-quinoline-4-carboxylic acid has a molecular weight of 298.27 g/mol, XLogP of 3.11, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoroanilino)-2-oxo-1H-quinoline-4-carboxylic acid is sourced from PubChem (CID 139572181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).