6-[2-[4-(trifluoromethyl)phenyl]ethenyl]quinoline-4-carboxylic acid

C19H12F3NO2 — CID 175216449

IUPAC6-[2-[4-(trifluoromethyl)phenyl]ethenyl]quinoline-4-carboxylic acid
SMILESO=C(O)c1ccnc2ccc(C=Cc3ccc(C(F)(F)F)cc3)cc12
InChIInChI=1S/C19H12F3NO2/c20-19(21,22)14-6-3-12(4-7-14)1-2-13-5-8-17-16(11-13)15(18(24)25)9-10-23-17/h1-11H,(H,24,25)
InChIKeyCQWTXKYEQGNJFJ-UHFFFAOYSA-N
MW343.30 g/mol
LogP5.12
Rot. Bonds3

About 6-[2-[4-(trifluoromethyl)phenyl]ethenyl]quinoline-4-carboxylic acid

6-[2-[4-(trifluoromethyl)phenyl]ethenyl]quinoline-4-carboxylic acid (PubChem CID 175216449) has the molecular formula C19H12F3NO2 and a molecular weight of 343.30 g/mol. Its IUPAC name is 6-[2-[4-(trifluoromethyl)phenyl]ethenyl]quinoline-4-carboxylic acid.

Molecular Properties

Compound Name6-[2-[4-(trifluoromethyl)phenyl]ethenyl]quinoline-4-carboxylic acid
PubChem CID175216449
Molecular FormulaC19H12F3NO2
Molecular Weight343.30 g/mol
Exact Mass343.08
IUPAC Name6-[2-[4-(trifluoromethyl)phenyl]ethenyl]quinoline-4-carboxylic acid
SMILESO=C(O)c1ccnc2ccc(C=Cc3ccc(C(F)(F)F)cc3)cc12
InChIInChI=1S/C19H12F3NO2/c20-19(21,22)14-6-3-12(4-7-14)1-2-13-5-8-17-16(11-13)15(18(24)25)9-10-23-17/h1-11H,(H,24,25)
InChIKeyCQWTXKYEQGNJFJ-UHFFFAOYSA-N
XLogP5.12
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.30
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 6-[2-[4-(trifluoromethyl)phenyl]ethenyl]quinoline-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-[4-(trifluoromethyl)phenyl]ethenyl]quinoline-4-carboxylic acid
CID 3340694
1-[(E)-2-phenylethenyl]-3-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzene
CID 56950894
6-aminoquinoline-4-carboxylic acid;dihydrochloride
CID 171397441
1-(trifluoromethyl)-4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzene
CID 11758889
6-ethylquinoline-4-carboxylic acid
CID 83527113
azane;6-methoxyquinoline-4-carboxylic acid
CID 67151937
2,3-bis[4-(trifluoromethyl)phenyl]pyridine-4-carboxylic acid
CID 134617538
7-(trifluoromethyl)quinoline-5-carboxylic acid
CID 617812
sodium;hydride;6-methoxyquinoline-4-carboxylic acid
CID 173088597
4-(2-phenylethenyl)-2-[[3-(trifluoromethyl)benzoyl]amino]benzoic acid
CID 175255475
2-ethenyl-4-(trifluoromethyl)benzoic acid
CID 154659502
5-(trifluoromethyl)-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzaldehyde
CID 122475774

Frequently Asked Questions

What is the IUPAC name of 6-[2-[4-(trifluoromethyl)phenyl]ethenyl]quinoline-4-carboxylic acid?
The IUPAC name of 6-[2-[4-(trifluoromethyl)phenyl]ethenyl]quinoline-4-carboxylic acid (CID 175216449) is 6-[2-[4-(trifluoromethyl)phenyl]ethenyl]quinoline-4-carboxylic acid.
What is the SMILES notation for 6-[2-[4-(trifluoromethyl)phenyl]ethenyl]quinoline-4-carboxylic acid?
The canonical SMILES for 6-[2-[4-(trifluoromethyl)phenyl]ethenyl]quinoline-4-carboxylic acid is O=C(O)c1ccnc2ccc(C=Cc3ccc(C(F)(F)F)cc3)cc12.
What is the InChIKey of 6-[2-[4-(trifluoromethyl)phenyl]ethenyl]quinoline-4-carboxylic acid?
The InChIKey is CQWTXKYEQGNJFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F3NO2/c20-19(21,22)14-6-3-12(4-7-14)1-2-13-5-8-17-16(11-13)15(18(24)25)9-10-23-17/h1-11H,(H,24,25).
What are the key properties of 6-[2-[4-(trifluoromethyl)phenyl]ethenyl]quinoline-4-carboxylic acid?
6-[2-[4-(trifluoromethyl)phenyl]ethenyl]quinoline-4-carboxylic acid has a molecular weight of 343.30 g/mol, XLogP of 5.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[4-(trifluoromethyl)phenyl]ethenyl]quinoline-4-carboxylic acid is sourced from PubChem (CID 175216449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).