2-(4-fluorophenyl)-3-[(2S)-2-methylpyrrolidin-1-yl]quinoline-6-carboxylic acid

C21H19FN2O2 — CID 141344444

IUPAC2-(4-fluorophenyl)-3-[(2S)-2-methylpyrrolidin-1-yl]quinoline-6-carboxylic acid
SMILESC[C@H]1CCCN1c1cc2cc(C(=O)O)ccc2nc1-c1ccc(F)cc1
InChIInChI=1S/C21H19FN2O2/c1-13-3-2-10-24(13)19-12-16-11-15(21(25)26)6-9-18(16)23-20(19)14-4-7-17(22)8-5-14/h4-9,11-13H,2-3,10H2,1H3,(H,25,26)/t13-/m0/s1
InChIKeyUQYVIIZYCYLYMG-ZDUSSCGKSA-N
MW350.39 g/mol
LogP4.73
Rot. Bonds3

About 2-(4-fluorophenyl)-3-[(2S)-2-methylpyrrolidin-1-yl]quinoline-6-carboxylic acid

2-(4-fluorophenyl)-3-[(2S)-2-methylpyrrolidin-1-yl]quinoline-6-carboxylic acid (PubChem CID 141344444) has the molecular formula C21H19FN2O2 and a molecular weight of 350.39 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-3-[(2S)-2-methylpyrrolidin-1-yl]quinoline-6-carboxylic acid.

Molecular Properties

Compound Name2-(4-fluorophenyl)-3-[(2S)-2-methylpyrrolidin-1-yl]quinoline-6-carboxylic acid
PubChem CID141344444
Molecular FormulaC21H19FN2O2
Molecular Weight350.39 g/mol
Exact Mass350.14
IUPAC Name2-(4-fluorophenyl)-3-[(2S)-2-methylpyrrolidin-1-yl]quinoline-6-carboxylic acid
SMILESC[C@H]1CCCN1c1cc2cc(C(=O)O)ccc2nc1-c1ccc(F)cc1
InChIInChI=1S/C21H19FN2O2/c1-13-3-2-10-24(13)19-12-16-11-15(21(25)26)6-9-18(16)23-20(19)14-4-7-17(22)8-5-14/h4-9,11-13H,2-3,10H2,1H3,(H,25,26)/t13-/m0/s1
InChIKeyUQYVIIZYCYLYMG-ZDUSSCGKSA-N
XLogP4.73
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.39
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-fluorophenyl)-3-[(2S)-2-methylpyrrolidin-1-yl]quinoline-6-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-(1-benzofuran-2-yl)-3-(2-methylpyrrolidin-1-yl)quinoline-6-carboxylic acid
CID 141344525
2-(4-fluorophenyl)-3-[(2S)-2-methylpyrrolidin-1-yl]quinoxaline-6-carboxamide
CID 70661273
3-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylquinoline-6-carboxylic acid
CID 141344774
methyl 2-(2-methyl-1H-indol-5-yl)-3-[(2S)-2-methylpyrrolidin-1-yl]quinoline-6-carboxylate
CID 141448007
2-(4-fluorophenyl)-3-[2-(trifluoromethyl)pyrrolidin-1-yl]quinoxaline-6-carboxylic acid
CID 70654355
benzyl 2-(4-fluorophenyl)-3-[(2S)-2-methylpyrrolidin-1-yl]quinoxaline-6-carboxylate
CID 70661278
3-[6-(dimethylsulfamoyl)-3,4-dihydro-2H-quinolin-1-yl]-2-(4-fluorophenyl)quinoline-6-carboxylic acid
CID 141340632
2-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-[(2S)-2-methylpyrrolidin-1-yl]quinoxaline-6-carboxylic acid
CID 70664918
methyl 3-(4-acetylpiperazin-1-yl)-2-(4-fluorophenyl)quinoline-6-carboxylate
CID 141344541
methyl 3-(2-methylpyrrolidin-1-yl)-2-phenylquinoxaline-6-carboxylate
CID 67041735
methyl 3-(2-methylpiperidin-1-yl)-2-(trifluoromethylsulfonyloxy)quinoline-6-carboxylate
CID 141344451
4-[(2S)-2-methylpiperidin-1-yl]-3-(trifluoromethyl)benzoic acid;4-[(2R)-2-methylpiperidin-1-yl]-3-(trifluoromethyl)benzoic acid;4-phenylbenzoic acid
CID 87394973

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-3-[(2S)-2-methylpyrrolidin-1-yl]quinoline-6-carboxylic acid?
The IUPAC name of 2-(4-fluorophenyl)-3-[(2S)-2-methylpyrrolidin-1-yl]quinoline-6-carboxylic acid (CID 141344444) is 2-(4-fluorophenyl)-3-[(2S)-2-methylpyrrolidin-1-yl]quinoline-6-carboxylic acid.
What is the SMILES notation for 2-(4-fluorophenyl)-3-[(2S)-2-methylpyrrolidin-1-yl]quinoline-6-carboxylic acid?
The canonical SMILES for 2-(4-fluorophenyl)-3-[(2S)-2-methylpyrrolidin-1-yl]quinoline-6-carboxylic acid is C[C@H]1CCCN1c1cc2cc(C(=O)O)ccc2nc1-c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-3-[(2S)-2-methylpyrrolidin-1-yl]quinoline-6-carboxylic acid?
The InChIKey is UQYVIIZYCYLYMG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C21H19FN2O2/c1-13-3-2-10-24(13)19-12-16-11-15(21(25)26)6-9-18(16)23-20(19)14-4-7-17(22)8-5-14/h4-9,11-13H,2-3,10H2,1H3,(H,25,26)/t13-/m0/s1.
What are the key properties of 2-(4-fluorophenyl)-3-[(2S)-2-methylpyrrolidin-1-yl]quinoline-6-carboxylic acid?
2-(4-fluorophenyl)-3-[(2S)-2-methylpyrrolidin-1-yl]quinoline-6-carboxylic acid has a molecular weight of 350.39 g/mol, XLogP of 4.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-3-[(2S)-2-methylpyrrolidin-1-yl]quinoline-6-carboxylic acid is sourced from PubChem (CID 141344444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).