2-(3,4-dimethylphenyl)-6-(trifluoromethoxy)quinoline-4-carboxylic acid

C19H14F3NO3 — CID 4223701

IUPAC2-(3,4-dimethylphenyl)-6-(trifluoromethoxy)quinoline-4-carboxylic acid
SMILESCc1ccc(-c2cc(C(=O)O)c3cc(OC(F)(F)F)ccc3n2)cc1C
InChIInChI=1S/C19H14F3NO3/c1-10-3-4-12(7-11(10)2)17-9-15(18(24)25)14-8-13(26-19(20,21)22)5-6-16(14)23-17/h3-9H,1-2H3,(H,24,25)
InChIKeyWCSGVMRXBGMBQX-UHFFFAOYSA-N
MW361.32 g/mol
LogP5.12
Rot. Bonds3

About 2-(3,4-dimethylphenyl)-6-(trifluoromethoxy)quinoline-4-carboxylic acid

2-(3,4-dimethylphenyl)-6-(trifluoromethoxy)quinoline-4-carboxylic acid (PubChem CID 4223701) has the molecular formula C19H14F3NO3 and a molecular weight of 361.32 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-6-(trifluoromethoxy)quinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-6-(trifluoromethoxy)quinoline-4-carboxylic acid
PubChem CID4223701
Molecular FormulaC19H14F3NO3
Molecular Weight361.32 g/mol
Exact Mass361.09
IUPAC Name2-(3,4-dimethylphenyl)-6-(trifluoromethoxy)quinoline-4-carboxylic acid
SMILESCc1ccc(-c2cc(C(=O)O)c3cc(OC(F)(F)F)ccc3n2)cc1C
InChIInChI=1S/C19H14F3NO3/c1-10-3-4-12(7-11(10)2)17-9-15(18(24)25)14-8-13(26-19(20,21)22)5-6-16(14)23-17/h3-9H,1-2H3,(H,24,25)
InChIKeyWCSGVMRXBGMBQX-UHFFFAOYSA-N
XLogP5.12
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.32
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methylphenyl)-6-(trifluoromethoxy)quinoline-4-carboxylic acid
CID 4272780
2-(4-ethylphenyl)-6-(trifluoromethoxy)quinoline-4-carboxylic acid
CID 4303527
2-(3-chlorophenyl)-6-(trifluoromethoxy)quinoline-4-carboxylic acid
CID 3536626
2-(5-methylthiophen-2-yl)-6-(trifluoromethoxy)quinoline-4-carboxylic acid
CID 3918730
7-methoxy-2-[4-(trifluoromethoxy)phenyl]quinoline-4-carboxylic acid
CID 18073526
2-methyl-5-(trifluoromethoxy)benzoic acid
CID 58839058
2-[3-[3-(trifluoromethoxy)phenyl]phenyl]quinoline-4-carboxylic acid
CID 162785666
2-(3,4-dimethylphenyl)-6-methyl-N-propan-2-ylquinoline-4-carboxamide
CID 42749696
6-ethoxy-2-(4-ethoxyphenyl)quinoline-4-carboxylic acid
CID 3511446
N-hydroxy-2-methyl-6-(trifluoromethoxy)quinoline-4-carboxamide
CID 82574511
2-(3-fluoro-4-methoxyphenyl)-6-methylquinoline-4-carboxylic acid
CID 3492969
1-[4-[2-(3,4-dimethylphenyl)-6-fluoroquinoline-4-carbonyl]piperazin-1-yl]ethanone
CID 42750169

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)-6-(trifluoromethoxy)quinoline-4-carboxylic acid?
The IUPAC name of 2-(3,4-dimethylphenyl)-6-(trifluoromethoxy)quinoline-4-carboxylic acid (CID 4223701) is 2-(3,4-dimethylphenyl)-6-(trifluoromethoxy)quinoline-4-carboxylic acid.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-6-(trifluoromethoxy)quinoline-4-carboxylic acid?
The canonical SMILES for 2-(3,4-dimethylphenyl)-6-(trifluoromethoxy)quinoline-4-carboxylic acid is Cc1ccc(-c2cc(C(=O)O)c3cc(OC(F)(F)F)ccc3n2)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenyl)-6-(trifluoromethoxy)quinoline-4-carboxylic acid?
The InChIKey is WCSGVMRXBGMBQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3NO3/c1-10-3-4-12(7-11(10)2)17-9-15(18(24)25)14-8-13(26-19(20,21)22)5-6-16(14)23-17/h3-9H,1-2H3,(H,24,25).
What are the key properties of 2-(3,4-dimethylphenyl)-6-(trifluoromethoxy)quinoline-4-carboxylic acid?
2-(3,4-dimethylphenyl)-6-(trifluoromethoxy)quinoline-4-carboxylic acid has a molecular weight of 361.32 g/mol, XLogP of 5.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)-6-(trifluoromethoxy)quinoline-4-carboxylic acid is sourced from PubChem (CID 4223701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).