1-[2-fluoro-5-hydroxy-4-(trifluoromethyl)phenyl]-4-oxoquinoline-3-carboxamide

C17H10F4N2O3 — CID 174667339

IUPAC1-[2-fluoro-5-hydroxy-4-(trifluoromethyl)phenyl]-4-oxoquinoline-3-carboxamide
SMILESNC(=O)c1cn(-c2cc(O)c(C(F)(F)F)cc2F)c2ccccc2c1=O
InChIInChI=1S/C17H10F4N2O3/c18-11-5-10(17(19,20)21)14(24)6-13(11)23-7-9(16(22)26)15(25)8-3-1-2-4-12(8)23/h1-7,24H,(H2,22,26)
InChIKeyCNVBTTDOBMFINR-UHFFFAOYSA-N
MW366.27 g/mol
LogP2.95
Rot. Bonds2

About 1-[2-fluoro-5-hydroxy-4-(trifluoromethyl)phenyl]-4-oxoquinoline-3-carboxamide

1-[2-fluoro-5-hydroxy-4-(trifluoromethyl)phenyl]-4-oxoquinoline-3-carboxamide (PubChem CID 174667339) has the molecular formula C17H10F4N2O3 and a molecular weight of 366.27 g/mol. Its IUPAC name is 1-[2-fluoro-5-hydroxy-4-(trifluoromethyl)phenyl]-4-oxoquinoline-3-carboxamide.

Molecular Properties

Compound Name1-[2-fluoro-5-hydroxy-4-(trifluoromethyl)phenyl]-4-oxoquinoline-3-carboxamide
PubChem CID174667339
Molecular FormulaC17H10F4N2O3
Molecular Weight366.27 g/mol
Exact Mass366.06
IUPAC Name1-[2-fluoro-5-hydroxy-4-(trifluoromethyl)phenyl]-4-oxoquinoline-3-carboxamide
SMILESNC(=O)c1cn(-c2cc(O)c(C(F)(F)F)cc2F)c2ccccc2c1=O
InChIInChI=1S/C17H10F4N2O3/c18-11-5-10(17(19,20)21)14(24)6-13(11)23-7-9(16(22)26)15(25)8-3-1-2-4-12(8)23/h1-7,24H,(H2,22,26)
InChIKeyCNVBTTDOBMFINR-UHFFFAOYSA-N
XLogP2.95
TPSA85.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.27
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(trifluoromethyl)phenyl]-4-oxoquinoline-3-carboxamide
CID 174667324
1-(5-fluoro-1H-indol-6-yl)-5-hydroxy-4-oxoquinoline-3-carboxamide
CID 174667346
1-[2-fluoro-5-hydroxy-4-(1-methylcyclohexyl)phenyl]-5-methyl-4-oxoquinoline-3-carboxamide
CID 174655699
1-naphthalen-1-yl-4-oxoquinoline-3-carboxylic acid
CID 174428964
9-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide
CID 174414273
1-hydroxy-4-oxoquinoline-3-carboxylic acid;hydrochloride
CID 141163916
5-amino-4-fluoro-2-(trifluoromethyl)phenol
CID 130766695
1-[8-(trifluoromethyl)quinolin-4-yl]indole-3-carbonyl chloride
CID 86594801
N-(diaminomethylidene)-1-[6-(trifluoromethyl)quinolin-4-yl]indole-3-carboxamide;hydrochloride
CID 68969149
4-amino-5-fluoro-2-(trifluoromethyl)benzamide
CID 118823151
1-ethyl-8-fluoro-6,7-dihydroxy-4-oxoquinoline-3-carboxamide
CID 90373252
6,7-difluoro-1-(2-fluoro-4-hydroxyphenyl)-4-oxoquinoline-3-carboxylic acid
CID 70457288

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-5-hydroxy-4-(trifluoromethyl)phenyl]-4-oxoquinoline-3-carboxamide?
The IUPAC name of 1-[2-fluoro-5-hydroxy-4-(trifluoromethyl)phenyl]-4-oxoquinoline-3-carboxamide (CID 174667339) is 1-[2-fluoro-5-hydroxy-4-(trifluoromethyl)phenyl]-4-oxoquinoline-3-carboxamide.
What is the SMILES notation for 1-[2-fluoro-5-hydroxy-4-(trifluoromethyl)phenyl]-4-oxoquinoline-3-carboxamide?
The canonical SMILES for 1-[2-fluoro-5-hydroxy-4-(trifluoromethyl)phenyl]-4-oxoquinoline-3-carboxamide is NC(=O)c1cn(-c2cc(O)c(C(F)(F)F)cc2F)c2ccccc2c1=O.
What is the InChIKey of 1-[2-fluoro-5-hydroxy-4-(trifluoromethyl)phenyl]-4-oxoquinoline-3-carboxamide?
The InChIKey is CNVBTTDOBMFINR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F4N2O3/c18-11-5-10(17(19,20)21)14(24)6-13(11)23-7-9(16(22)26)15(25)8-3-1-2-4-12(8)23/h1-7,24H,(H2,22,26).
What are the key properties of 1-[2-fluoro-5-hydroxy-4-(trifluoromethyl)phenyl]-4-oxoquinoline-3-carboxamide?
1-[2-fluoro-5-hydroxy-4-(trifluoromethyl)phenyl]-4-oxoquinoline-3-carboxamide has a molecular weight of 366.27 g/mol, XLogP of 2.95, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-5-hydroxy-4-(trifluoromethyl)phenyl]-4-oxoquinoline-3-carboxamide is sourced from PubChem (CID 174667339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).