4-oxo-6-[[4-(trifluoromethyl)phenyl]methoxy]-1H-quinoline-3-carboxylic acid

C18H12F3NO4 — CID 162518072

IUPAC4-oxo-6-[[4-(trifluoromethyl)phenyl]methoxy]-1H-quinoline-3-carboxylic acid
SMILESO=C(O)c1c[nH]c2ccc(OCc3ccc(C(F)(F)F)cc3)cc2c1=O
InChIInChI=1S/C18H12F3NO4/c19-18(20,21)11-3-1-10(2-4-11)9-26-12-5-6-15-13(7-12)16(23)14(8-22-15)17(24)25/h1-8H,9H2,(H,22,23)(H,24,25)
InChIKeyPSNGPKWLEASFPN-UHFFFAOYSA-N
MW363.29 g/mol
LogP3.82
Rot. Bonds4

About 4-oxo-6-[[4-(trifluoromethyl)phenyl]methoxy]-1H-quinoline-3-carboxylic acid

4-oxo-6-[[4-(trifluoromethyl)phenyl]methoxy]-1H-quinoline-3-carboxylic acid (PubChem CID 162518072) has the molecular formula C18H12F3NO4 and a molecular weight of 363.29 g/mol. Its IUPAC name is 4-oxo-6-[[4-(trifluoromethyl)phenyl]methoxy]-1H-quinoline-3-carboxylic acid.

Molecular Properties

Compound Name4-oxo-6-[[4-(trifluoromethyl)phenyl]methoxy]-1H-quinoline-3-carboxylic acid
PubChem CID162518072
Molecular FormulaC18H12F3NO4
Molecular Weight363.29 g/mol
Exact Mass363.07
IUPAC Name4-oxo-6-[[4-(trifluoromethyl)phenyl]methoxy]-1H-quinoline-3-carboxylic acid
SMILESO=C(O)c1c[nH]c2ccc(OCc3ccc(C(F)(F)F)cc3)cc2c1=O
InChIInChI=1S/C18H12F3NO4/c19-18(20,21)11-3-1-10(2-4-11)9-26-12-5-6-15-13(7-12)16(23)14(8-22-15)17(24)25/h1-8H,9H2,(H,22,23)(H,24,25)
InChIKeyPSNGPKWLEASFPN-UHFFFAOYSA-N
XLogP3.82
TPSA79.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.29
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(4-fluorophenyl)methoxy]-4-oxo-1H-quinoline-3-carboxylic acid
CID 70992531
6,7-bis[(4-methoxyphenyl)methoxy]-4-oxo-1H-quinoline-3-carboxylic acid
CID 118451648
3,3-difluoro-N-[5-[[4-(trifluoromethyl)phenyl]methoxy]-1H-indol-3-yl]cyclobutane-1-carboxamide
CID 167468164
4-[[4-(trifluoromethyl)phenyl]methoxy]benzoic acid
CID 43214876
N-[5-[[4-(trifluoromethyl)phenyl]methoxy]-1H-indol-3-yl]-1,3-thiazole-5-carboxamide
CID 168986863
2-chloro-1-(5-phenylmethoxy-1H-indol-3-yl)ethanone
CID 10891912
4-oxo-6-(trifluoromethyl)-1H-quinoline-3-carboxylate
CID 7062046
(2R,4S)-4-fluoro-N-[5-[[4-(trifluoromethyl)phenyl]methoxy]-1H-indol-3-yl]bicyclo[3.1.1]heptane-2-carboxamide
CID 170059461
N-[5-[[4-(trifluoromethyl)phenyl]methoxy]-1H-indol-3-yl]spiro[2.3]hexane-2-carboxamide
CID 168986710
methyl 4-oxo-6-(trifluoromethyl)-1H-quinoline-3-carboxylate
CID 115050494
2-methyl-4-[[4-(trifluoromethyl)phenoxy]methyl]benzoic acid
CID 117220530
1-(2,2-difluoroethyl)-3-methyl-N-[5-[[4-(trifluoromethyl)phenyl]methoxy]-1H-indol-3-yl]azetidine-3-carboxamide
CID 167467668

Frequently Asked Questions

What is the IUPAC name of 4-oxo-6-[[4-(trifluoromethyl)phenyl]methoxy]-1H-quinoline-3-carboxylic acid?
The IUPAC name of 4-oxo-6-[[4-(trifluoromethyl)phenyl]methoxy]-1H-quinoline-3-carboxylic acid (CID 162518072) is 4-oxo-6-[[4-(trifluoromethyl)phenyl]methoxy]-1H-quinoline-3-carboxylic acid.
What is the SMILES notation for 4-oxo-6-[[4-(trifluoromethyl)phenyl]methoxy]-1H-quinoline-3-carboxylic acid?
The canonical SMILES for 4-oxo-6-[[4-(trifluoromethyl)phenyl]methoxy]-1H-quinoline-3-carboxylic acid is O=C(O)c1c[nH]c2ccc(OCc3ccc(C(F)(F)F)cc3)cc2c1=O.
What is the InChIKey of 4-oxo-6-[[4-(trifluoromethyl)phenyl]methoxy]-1H-quinoline-3-carboxylic acid?
The InChIKey is PSNGPKWLEASFPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F3NO4/c19-18(20,21)11-3-1-10(2-4-11)9-26-12-5-6-15-13(7-12)16(23)14(8-22-15)17(24)25/h1-8H,9H2,(H,22,23)(H,24,25).
What are the key properties of 4-oxo-6-[[4-(trifluoromethyl)phenyl]methoxy]-1H-quinoline-3-carboxylic acid?
4-oxo-6-[[4-(trifluoromethyl)phenyl]methoxy]-1H-quinoline-3-carboxylic acid has a molecular weight of 363.29 g/mol, XLogP of 3.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-6-[[4-(trifluoromethyl)phenyl]methoxy]-1H-quinoline-3-carboxylic acid is sourced from PubChem (CID 162518072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).