6-bromo-2-[(E)-2-(2-methylphenyl)ethenyl]quinoline-4-carboxylic acid

C19H14BrNO2 — CID 16772352

IUPAC6-bromo-2-[(E)-2-(2-methylphenyl)ethenyl]quinoline-4-carboxylic acid
SMILESCc1ccccc1/C=C/c1cc(C(=O)O)c2cc(Br)ccc2n1
InChIInChI=1S/C19H14BrNO2/c1-12-4-2-3-5-13(12)6-8-15-11-17(19(22)23)16-10-14(20)7-9-18(16)21-15/h2-11H,1H3,(H,22,23)/b8-6+
InChIKeyDHHUOFDWNDPKDE-SOFGYWHQSA-N
MW368.23 g/mol
LogP5.17
Rot. Bonds3

About 6-bromo-2-[(E)-2-(2-methylphenyl)ethenyl]quinoline-4-carboxylic acid

6-bromo-2-[(E)-2-(2-methylphenyl)ethenyl]quinoline-4-carboxylic acid (PubChem CID 16772352) has the molecular formula C19H14BrNO2 and a molecular weight of 368.23 g/mol. Its IUPAC name is 6-bromo-2-[(E)-2-(2-methylphenyl)ethenyl]quinoline-4-carboxylic acid.

Molecular Properties

Compound Name6-bromo-2-[(E)-2-(2-methylphenyl)ethenyl]quinoline-4-carboxylic acid
PubChem CID16772352
Molecular FormulaC19H14BrNO2
Molecular Weight368.23 g/mol
Exact Mass367.02
IUPAC Name6-bromo-2-[(E)-2-(2-methylphenyl)ethenyl]quinoline-4-carboxylic acid
SMILESCc1ccccc1/C=C/c1cc(C(=O)O)c2cc(Br)ccc2n1
InChIInChI=1S/C19H14BrNO2/c1-12-4-2-3-5-13(12)6-8-15-11-17(19(22)23)16-10-14(20)7-9-18(16)21-15/h2-11H,1H3,(H,22,23)/b8-6+
InChIKeyDHHUOFDWNDPKDE-SOFGYWHQSA-N
XLogP5.17
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.23
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-bromo-2-[(E)-2-(2-methylphenyl)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

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-[(E)-2-(2-methylphenyl)ethenyl]quinoline-4-carboxylic acid?
The IUPAC name of 6-bromo-2-[(E)-2-(2-methylphenyl)ethenyl]quinoline-4-carboxylic acid (CID 16772352) is 6-bromo-2-[(E)-2-(2-methylphenyl)ethenyl]quinoline-4-carboxylic acid.
What is the SMILES notation for 6-bromo-2-[(E)-2-(2-methylphenyl)ethenyl]quinoline-4-carboxylic acid?
The canonical SMILES for 6-bromo-2-[(E)-2-(2-methylphenyl)ethenyl]quinoline-4-carboxylic acid is Cc1ccccc1/C=C/c1cc(C(=O)O)c2cc(Br)ccc2n1.
What is the InChIKey of 6-bromo-2-[(E)-2-(2-methylphenyl)ethenyl]quinoline-4-carboxylic acid?
The InChIKey is DHHUOFDWNDPKDE-SOFGYWHQSA-N. The full InChI is InChI=1S/C19H14BrNO2/c1-12-4-2-3-5-13(12)6-8-15-11-17(19(22)23)16-10-14(20)7-9-18(16)21-15/h2-11H,1H3,(H,22,23)/b8-6+.
What are the key properties of 6-bromo-2-[(E)-2-(2-methylphenyl)ethenyl]quinoline-4-carboxylic acid?
6-bromo-2-[(E)-2-(2-methylphenyl)ethenyl]quinoline-4-carboxylic acid has a molecular weight of 368.23 g/mol, XLogP of 5.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-[(E)-2-(2-methylphenyl)ethenyl]quinoline-4-carboxylic acid is sourced from PubChem (CID 16772352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).