2-(1-benzofuran-2-yl)-3-(2-methylpyrrolidin-1-yl)quinoline-6-carboxylic acid

C23H20N2O3 — CID 141344525

IUPAC2-(1-benzofuran-2-yl)-3-(2-methylpyrrolidin-1-yl)quinoline-6-carboxylic acid
SMILESCC1CCCN1c1cc2cc(C(=O)O)ccc2nc1-c1cc2ccccc2o1
InChIInChI=1S/C23H20N2O3/c1-14-5-4-10-25(14)19-12-17-11-16(23(26)27)8-9-18(17)24-22(19)21-13-15-6-2-3-7-20(15)28-21/h2-3,6-9,11-14H,4-5,10H2,1H3,(H,26,27)
InChIKeyOXZIXJYHSPREGO-UHFFFAOYSA-N
MW372.42 g/mol
LogP5.33
Rot. Bonds3

About 2-(1-benzofuran-2-yl)-3-(2-methylpyrrolidin-1-yl)quinoline-6-carboxylic acid

2-(1-benzofuran-2-yl)-3-(2-methylpyrrolidin-1-yl)quinoline-6-carboxylic acid (PubChem CID 141344525) has the molecular formula C23H20N2O3 and a molecular weight of 372.42 g/mol. Its IUPAC name is 2-(1-benzofuran-2-yl)-3-(2-methylpyrrolidin-1-yl)quinoline-6-carboxylic acid.

Molecular Properties

Compound Name2-(1-benzofuran-2-yl)-3-(2-methylpyrrolidin-1-yl)quinoline-6-carboxylic acid
PubChem CID141344525
Molecular FormulaC23H20N2O3
Molecular Weight372.42 g/mol
Exact Mass372.15
IUPAC Name2-(1-benzofuran-2-yl)-3-(2-methylpyrrolidin-1-yl)quinoline-6-carboxylic acid
SMILESCC1CCCN1c1cc2cc(C(=O)O)ccc2nc1-c1cc2ccccc2o1
InChIInChI=1S/C23H20N2O3/c1-14-5-4-10-25(14)19-12-17-11-16(23(26)27)8-9-18(17)24-22(19)21-13-15-6-2-3-7-20(15)28-21/h2-3,6-9,11-14H,4-5,10H2,1H3,(H,26,27)
InChIKeyOXZIXJYHSPREGO-UHFFFAOYSA-N
XLogP5.33
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.42
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluorophenyl)-3-[(2S)-2-methylpyrrolidin-1-yl]quinoline-6-carboxylic acid
CID 141344444
3-[(2S)-2-methylpyrrolidin-1-yl]-2-[5-(trifluoromethyl)-1-benzofuran-2-yl]quinoxaline-6-carboxylic acid
CID 70665338
3-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylquinoline-6-carboxylic acid
CID 141344774
methyl 3-(2-methylpyrrolidin-1-yl)-2-phenylquinoxaline-6-carboxylate
CID 67041735
2-(5-chloro-1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]quinoline-6-carboxylic acid
CID 141344555
methyl 2-(2-methyl-1H-indol-5-yl)-3-[(2S)-2-methylpyrrolidin-1-yl]quinoline-6-carboxylate
CID 141448007
2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-1,3-benzoxazole-6-carboxylic acid
CID 104967637
[3-fluoro-4-[(2S)-2-methylpiperidin-1-yl]phenyl]-phenylmethanone
CID 702752
methyl 3-(2-methylpiperidin-1-yl)-2-(trifluoromethylsulfonyloxy)quinoline-6-carboxylate
CID 141344451
N-[5-amino-2-(2-methylpiperidin-1-yl)phenyl]-1-benzofuran-2-carboxamide
CID 91675417
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
2-(1-benzofuran-2-yl)-3-phenylquinoxaline
CID 20787617

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-2-yl)-3-(2-methylpyrrolidin-1-yl)quinoline-6-carboxylic acid?
The IUPAC name of 2-(1-benzofuran-2-yl)-3-(2-methylpyrrolidin-1-yl)quinoline-6-carboxylic acid (CID 141344525) is 2-(1-benzofuran-2-yl)-3-(2-methylpyrrolidin-1-yl)quinoline-6-carboxylic acid.
What is the SMILES notation for 2-(1-benzofuran-2-yl)-3-(2-methylpyrrolidin-1-yl)quinoline-6-carboxylic acid?
The canonical SMILES for 2-(1-benzofuran-2-yl)-3-(2-methylpyrrolidin-1-yl)quinoline-6-carboxylic acid is CC1CCCN1c1cc2cc(C(=O)O)ccc2nc1-c1cc2ccccc2o1.
What is the InChIKey of 2-(1-benzofuran-2-yl)-3-(2-methylpyrrolidin-1-yl)quinoline-6-carboxylic acid?
The InChIKey is OXZIXJYHSPREGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O3/c1-14-5-4-10-25(14)19-12-17-11-16(23(26)27)8-9-18(17)24-22(19)21-13-15-6-2-3-7-20(15)28-21/h2-3,6-9,11-14H,4-5,10H2,1H3,(H,26,27).
What are the key properties of 2-(1-benzofuran-2-yl)-3-(2-methylpyrrolidin-1-yl)quinoline-6-carboxylic acid?
2-(1-benzofuran-2-yl)-3-(2-methylpyrrolidin-1-yl)quinoline-6-carboxylic acid has a molecular weight of 372.42 g/mol, XLogP of 5.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzofuran-2-yl)-3-(2-methylpyrrolidin-1-yl)quinoline-6-carboxylic acid is sourced from PubChem (CID 141344525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).