5-chloro-4-(2-fluorophenyl)-2-propan-2-ylquinoline-3-carboxylic acid

C19H15ClFNO2 — CID 123210856

IUPAC5-chloro-4-(2-fluorophenyl)-2-propan-2-ylquinoline-3-carboxylic acid
SMILESCC(C)c1nc2cccc(Cl)c2c(-c2ccccc2F)c1C(=O)O
InChIInChI=1S/C19H15ClFNO2/c1-10(2)18-17(19(23)24)15(11-6-3-4-8-13(11)21)16-12(20)7-5-9-14(16)22-18/h3-10H,1-2H3,(H,23,24)
InChIKeyJIUFNDBSNJWVCK-UHFFFAOYSA-N
MW343.79 g/mol
LogP5.52
Rot. Bonds3

About 5-chloro-4-(2-fluorophenyl)-2-propan-2-ylquinoline-3-carboxylic acid

5-chloro-4-(2-fluorophenyl)-2-propan-2-ylquinoline-3-carboxylic acid (PubChem CID 123210856) has the molecular formula C19H15ClFNO2 and a molecular weight of 343.79 g/mol. Its IUPAC name is 5-chloro-4-(2-fluorophenyl)-2-propan-2-ylquinoline-3-carboxylic acid.

Molecular Properties

Compound Name5-chloro-4-(2-fluorophenyl)-2-propan-2-ylquinoline-3-carboxylic acid
PubChem CID123210856
Molecular FormulaC19H15ClFNO2
Molecular Weight343.79 g/mol
Exact Mass343.08
IUPAC Name5-chloro-4-(2-fluorophenyl)-2-propan-2-ylquinoline-3-carboxylic acid
SMILESCC(C)c1nc2cccc(Cl)c2c(-c2ccccc2F)c1C(=O)O
InChIInChI=1S/C19H15ClFNO2/c1-10(2)18-17(19(23)24)15(11-6-3-4-8-13(11)21)16-12(20)7-5-9-14(16)22-18/h3-10H,1-2H3,(H,23,24)
InChIKeyJIUFNDBSNJWVCK-UHFFFAOYSA-N
XLogP5.52
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.79
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-chloro-4-(2-fluorophenyl)-2-propan-2-ylquinoline-3-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 5-chloro-4-(2-fluorophenyl)-2-propan-2-ylquinoline-3-carboxylic acid?
The IUPAC name of 5-chloro-4-(2-fluorophenyl)-2-propan-2-ylquinoline-3-carboxylic acid (CID 123210856) is 5-chloro-4-(2-fluorophenyl)-2-propan-2-ylquinoline-3-carboxylic acid.
What is the SMILES notation for 5-chloro-4-(2-fluorophenyl)-2-propan-2-ylquinoline-3-carboxylic acid?
The canonical SMILES for 5-chloro-4-(2-fluorophenyl)-2-propan-2-ylquinoline-3-carboxylic acid is CC(C)c1nc2cccc(Cl)c2c(-c2ccccc2F)c1C(=O)O.
What is the InChIKey of 5-chloro-4-(2-fluorophenyl)-2-propan-2-ylquinoline-3-carboxylic acid?
The InChIKey is JIUFNDBSNJWVCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClFNO2/c1-10(2)18-17(19(23)24)15(11-6-3-4-8-13(11)21)16-12(20)7-5-9-14(16)22-18/h3-10H,1-2H3,(H,23,24).
What are the key properties of 5-chloro-4-(2-fluorophenyl)-2-propan-2-ylquinoline-3-carboxylic acid?
5-chloro-4-(2-fluorophenyl)-2-propan-2-ylquinoline-3-carboxylic acid has a molecular weight of 343.79 g/mol, XLogP of 5.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(2-fluorophenyl)-2-propan-2-ylquinoline-3-carboxylic acid is sourced from PubChem (CID 123210856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).