8-fluoro-3-methyl-2-phenylquinoline-4-carboxylic acid

C17H12FNO2 — CID 45157374

IUPAC8-fluoro-3-methyl-2-phenylquinoline-4-carboxylic acid
SMILESCc1c(-c2ccccc2)nc2c(F)cccc2c1C(=O)O
InChIInChI=1S/C17H12FNO2/c1-10-14(17(20)21)12-8-5-9-13(18)16(12)19-15(10)11-6-3-2-4-7-11/h2-9H,1H3,(H,20,21)
InChIKeyMIALMKKFAWAHGB-UHFFFAOYSA-N
MW281.29 g/mol
LogP4.05
Rot. Bonds2

About 8-fluoro-3-methyl-2-phenylquinoline-4-carboxylic acid

8-fluoro-3-methyl-2-phenylquinoline-4-carboxylic acid (PubChem CID 45157374) has the molecular formula C17H12FNO2 and a molecular weight of 281.29 g/mol. Its IUPAC name is 8-fluoro-3-methyl-2-phenylquinoline-4-carboxylic acid.

Molecular Properties

Compound Name8-fluoro-3-methyl-2-phenylquinoline-4-carboxylic acid
PubChem CID45157374
Molecular FormulaC17H12FNO2
Molecular Weight281.29 g/mol
Exact Mass281.09
IUPAC Name8-fluoro-3-methyl-2-phenylquinoline-4-carboxylic acid
SMILESCc1c(-c2ccccc2)nc2c(F)cccc2c1C(=O)O
InChIInChI=1S/C17H12FNO2/c1-10-14(17(20)21)12-8-5-9-13(18)16(12)19-15(10)11-6-3-2-4-7-11/h2-9H,1H3,(H,20,21)
InChIKeyMIALMKKFAWAHGB-UHFFFAOYSA-N
XLogP4.05
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.29
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 8-fluoro-3-methyl-2-phenylquinoline-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 8-fluoro-3-methyl-2-phenylquinoline-4-carboxylic acid?
The IUPAC name of 8-fluoro-3-methyl-2-phenylquinoline-4-carboxylic acid (CID 45157374) is 8-fluoro-3-methyl-2-phenylquinoline-4-carboxylic acid.
What is the SMILES notation for 8-fluoro-3-methyl-2-phenylquinoline-4-carboxylic acid?
The canonical SMILES for 8-fluoro-3-methyl-2-phenylquinoline-4-carboxylic acid is Cc1c(-c2ccccc2)nc2c(F)cccc2c1C(=O)O.
What is the InChIKey of 8-fluoro-3-methyl-2-phenylquinoline-4-carboxylic acid?
The InChIKey is MIALMKKFAWAHGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FNO2/c1-10-14(17(20)21)12-8-5-9-13(18)16(12)19-15(10)11-6-3-2-4-7-11/h2-9H,1H3,(H,20,21).
What are the key properties of 8-fluoro-3-methyl-2-phenylquinoline-4-carboxylic acid?
8-fluoro-3-methyl-2-phenylquinoline-4-carboxylic acid has a molecular weight of 281.29 g/mol, XLogP of 4.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-3-methyl-2-phenylquinoline-4-carboxylic acid is sourced from PubChem (CID 45157374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).