8-(3-methoxyphenyl)-7-(trifluoromethyl)quinoline-6-carboxylic acid

C18H12F3NO3 — CID 125425154

IUPAC8-(3-methoxyphenyl)-7-(trifluoromethyl)quinoline-6-carboxylic acid
SMILESCOc1cccc(-c2c(C(F)(F)F)c(C(=O)O)cc3cccnc23)c1
InChIInChI=1S/C18H12F3NO3/c1-25-12-6-2-4-10(8-12)14-15(18(19,20)21)13(17(23)24)9-11-5-3-7-22-16(11)14/h2-9H,1H3,(H,23,24)
InChIKeyDBLZGKOVZMPOGC-UHFFFAOYSA-N
MW347.29 g/mol
LogP4.63
Rot. Bonds3

About 8-(3-methoxyphenyl)-7-(trifluoromethyl)quinoline-6-carboxylic acid

8-(3-methoxyphenyl)-7-(trifluoromethyl)quinoline-6-carboxylic acid (PubChem CID 125425154) has the molecular formula C18H12F3NO3 and a molecular weight of 347.29 g/mol. Its IUPAC name is 8-(3-methoxyphenyl)-7-(trifluoromethyl)quinoline-6-carboxylic acid.

Molecular Properties

Compound Name8-(3-methoxyphenyl)-7-(trifluoromethyl)quinoline-6-carboxylic acid
PubChem CID125425154
Molecular FormulaC18H12F3NO3
Molecular Weight347.29 g/mol
Exact Mass347.08
IUPAC Name8-(3-methoxyphenyl)-7-(trifluoromethyl)quinoline-6-carboxylic acid
SMILESCOc1cccc(-c2c(C(F)(F)F)c(C(=O)O)cc3cccnc23)c1
InChIInChI=1S/C18H12F3NO3/c1-25-12-6-2-4-10(8-12)14-15(18(19,20)21)13(17(23)24)9-11-5-3-7-22-16(11)14/h2-9H,1H3,(H,23,24)
InChIKeyDBLZGKOVZMPOGC-UHFFFAOYSA-N
XLogP4.63
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.29
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-methoxyphenyl)pyridine-2-carboxylic acid
CID 52983911
6-(trifluoromethyl)quinoline-8-carboxylic acid
CID 129318996
3-methoxy-2-(3-methoxyphenyl)benzoic acid
CID 19594928
2-[[2-fluoro-4-(3-methoxyphenyl)phenyl]methyl]pyridine-3-carboxylic acid
CID 58075174
3-methoxybenzoic acid;quinoline
CID 67785482
2-(3-methoxyphenyl)-3-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethynyl]benzoic acid
CID 118078465
3-methoxy-4-(3-methoxyphenyl)-5-methylbenzoic acid
CID 54308818
4-(difluoromethyl)-2-(3-methoxyphenyl)pyrimidine-5-carboxylic acid
CID 62891615
3-chloro-5-(3-methoxyphenyl)benzoic acid
CID 53225426
2-hydroxy-5-(3-methoxyphenyl)benzoic acid
CID 4564140
benzo[h]quinoline-6,7-dicarboxylic acid
CID 67796843
8-(3-methoxyphenyl)-5H-indeno[1,2-b]pyridine-6-carboxamide
CID 160526281

Frequently Asked Questions

What is the IUPAC name of 8-(3-methoxyphenyl)-7-(trifluoromethyl)quinoline-6-carboxylic acid?
The IUPAC name of 8-(3-methoxyphenyl)-7-(trifluoromethyl)quinoline-6-carboxylic acid (CID 125425154) is 8-(3-methoxyphenyl)-7-(trifluoromethyl)quinoline-6-carboxylic acid.
What is the SMILES notation for 8-(3-methoxyphenyl)-7-(trifluoromethyl)quinoline-6-carboxylic acid?
The canonical SMILES for 8-(3-methoxyphenyl)-7-(trifluoromethyl)quinoline-6-carboxylic acid is COc1cccc(-c2c(C(F)(F)F)c(C(=O)O)cc3cccnc23)c1.
What is the InChIKey of 8-(3-methoxyphenyl)-7-(trifluoromethyl)quinoline-6-carboxylic acid?
The InChIKey is DBLZGKOVZMPOGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F3NO3/c1-25-12-6-2-4-10(8-12)14-15(18(19,20)21)13(17(23)24)9-11-5-3-7-22-16(11)14/h2-9H,1H3,(H,23,24).
What are the key properties of 8-(3-methoxyphenyl)-7-(trifluoromethyl)quinoline-6-carboxylic acid?
8-(3-methoxyphenyl)-7-(trifluoromethyl)quinoline-6-carboxylic acid has a molecular weight of 347.29 g/mol, XLogP of 4.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-methoxyphenyl)-7-(trifluoromethyl)quinoline-6-carboxylic acid is sourced from PubChem (CID 125425154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).