2-(4-methoxy-2-methylphenyl)-8-(trifluoromethyl)quinoline-4-carboxylic acid

C19H14F3NO3 — CID 4041653

IUPAC2-(4-methoxy-2-methylphenyl)-8-(trifluoromethyl)quinoline-4-carboxylic acid
SMILESCOc1ccc(-c2cc(C(=O)O)c3cccc(C(F)(F)F)c3n2)c(C)c1
InChIInChI=1S/C19H14F3NO3/c1-10-8-11(26-2)6-7-12(10)16-9-14(18(24)25)13-4-3-5-15(17(13)23-16)19(20,21)22/h3-9H,1-2H3,(H,24,25)
InChIKeyAOAYBGONLPQNHL-UHFFFAOYSA-N
MW361.32 g/mol
LogP4.94
Rot. Bonds3

About 2-(4-methoxy-2-methylphenyl)-8-(trifluoromethyl)quinoline-4-carboxylic acid

2-(4-methoxy-2-methylphenyl)-8-(trifluoromethyl)quinoline-4-carboxylic acid (PubChem CID 4041653) has the molecular formula C19H14F3NO3 and a molecular weight of 361.32 g/mol. Its IUPAC name is 2-(4-methoxy-2-methylphenyl)-8-(trifluoromethyl)quinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-(4-methoxy-2-methylphenyl)-8-(trifluoromethyl)quinoline-4-carboxylic acid
PubChem CID4041653
Molecular FormulaC19H14F3NO3
Molecular Weight361.32 g/mol
Exact Mass361.09
IUPAC Name2-(4-methoxy-2-methylphenyl)-8-(trifluoromethyl)quinoline-4-carboxylic acid
SMILESCOc1ccc(-c2cc(C(=O)O)c3cccc(C(F)(F)F)c3n2)c(C)c1
InChIInChI=1S/C19H14F3NO3/c1-10-8-11(26-2)6-7-12(10)16-9-14(18(24)25)13-4-3-5-15(17(13)23-16)19(20,21)22/h3-9H,1-2H3,(H,24,25)
InChIKeyAOAYBGONLPQNHL-UHFFFAOYSA-N
XLogP4.94
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.32
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-dimethoxyphenyl)-8-(trifluoromethyl)quinoline-4-carboxylic acid
CID 3469599
2-(2-chlorophenyl)-8-(trifluoromethyl)quinoline-4-carboxylic acid
CID 3991118
2-(6-methoxy-1-benzofuran-2-yl)-8-methylquinoline-4-carboxylic acid
CID 4611489
2-(2,5-dimethoxyphenyl)-5,8-dimethylquinoline-4-carboxylic acid
CID 3972105
3-(4-methoxy-2-methylphenyl)-2-[(4-methylphenyl)methyl]-7-(trifluoromethyl)indazole
CID 11647215
2-(2,5-dimethylphenyl)-6-methoxyquinoline-4-carboxylic acid
CID 3263095
2-(5-chloro-1-benzofuran-2-yl)-8-(trifluoromethyl)quinoline-4-carboxylic acid
CID 4039688
4-fluoro-2-(4-methoxy-2-methylphenyl)benzoic acid
CID 53211212
5-methoxy-2-(4-methylnaphthalen-1-yl)benzoic acid
CID 53405469
4-methoxy-2-(4-methylphenyl)-8-(trifluoromethyl)quinoline
CID 20711982
6-ethoxy-2-[2-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid
CID 4021032
3-(4-methoxy-2-methylphenyl)-4-methylbenzoic acid
CID 81476317

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-2-methylphenyl)-8-(trifluoromethyl)quinoline-4-carboxylic acid?
The IUPAC name of 2-(4-methoxy-2-methylphenyl)-8-(trifluoromethyl)quinoline-4-carboxylic acid (CID 4041653) is 2-(4-methoxy-2-methylphenyl)-8-(trifluoromethyl)quinoline-4-carboxylic acid.
What is the SMILES notation for 2-(4-methoxy-2-methylphenyl)-8-(trifluoromethyl)quinoline-4-carboxylic acid?
The canonical SMILES for 2-(4-methoxy-2-methylphenyl)-8-(trifluoromethyl)quinoline-4-carboxylic acid is COc1ccc(-c2cc(C(=O)O)c3cccc(C(F)(F)F)c3n2)c(C)c1.
What is the InChIKey of 2-(4-methoxy-2-methylphenyl)-8-(trifluoromethyl)quinoline-4-carboxylic acid?
The InChIKey is AOAYBGONLPQNHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3NO3/c1-10-8-11(26-2)6-7-12(10)16-9-14(18(24)25)13-4-3-5-15(17(13)23-16)19(20,21)22/h3-9H,1-2H3,(H,24,25).
What are the key properties of 2-(4-methoxy-2-methylphenyl)-8-(trifluoromethyl)quinoline-4-carboxylic acid?
2-(4-methoxy-2-methylphenyl)-8-(trifluoromethyl)quinoline-4-carboxylic acid has a molecular weight of 361.32 g/mol, XLogP of 4.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-2-methylphenyl)-8-(trifluoromethyl)quinoline-4-carboxylic acid is sourced from PubChem (CID 4041653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).