2-cyclopentyl-4-quinolin-4-ylbenzoic acid

C21H19NO2 — CID 164612222

IUPAC2-cyclopentyl-4-quinolin-4-ylbenzoic acid
SMILESO=C(O)c1ccc(-c2ccnc3ccccc23)cc1C1CCCC1
InChIInChI=1S/C21H19NO2/c23-21(24)18-10-9-15(13-19(18)14-5-1-2-6-14)16-11-12-22-20-8-4-3-7-17(16)20/h3-4,7-14H,1-2,5-6H2,(H,23,24)
InChIKeyCPATWHLHNLJLTB-UHFFFAOYSA-N
MW317.39 g/mol
LogP5.26
Rot. Bonds3

About 2-cyclopentyl-4-quinolin-4-ylbenzoic acid

2-cyclopentyl-4-quinolin-4-ylbenzoic acid (PubChem CID 164612222) has the molecular formula C21H19NO2 and a molecular weight of 317.39 g/mol. Its IUPAC name is 2-cyclopentyl-4-quinolin-4-ylbenzoic acid.

Molecular Properties

Compound Name2-cyclopentyl-4-quinolin-4-ylbenzoic acid
PubChem CID164612222
Molecular FormulaC21H19NO2
Molecular Weight317.39 g/mol
Exact Mass317.14
IUPAC Name2-cyclopentyl-4-quinolin-4-ylbenzoic acid
SMILESO=C(O)c1ccc(-c2ccnc3ccccc23)cc1C1CCCC1
InChIInChI=1S/C21H19NO2/c23-21(24)18-10-9-15(13-19(18)14-5-1-2-6-14)16-11-12-22-20-8-4-3-7-17(16)20/h3-4,7-14H,1-2,5-6H2,(H,23,24)
InChIKeyCPATWHLHNLJLTB-UHFFFAOYSA-N
XLogP5.26
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.39
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-4-quinolin-4-ylbenzoic acid?
The IUPAC name of 2-cyclopentyl-4-quinolin-4-ylbenzoic acid (CID 164612222) is 2-cyclopentyl-4-quinolin-4-ylbenzoic acid.
What is the SMILES notation for 2-cyclopentyl-4-quinolin-4-ylbenzoic acid?
The canonical SMILES for 2-cyclopentyl-4-quinolin-4-ylbenzoic acid is O=C(O)c1ccc(-c2ccnc3ccccc23)cc1C1CCCC1.
What is the InChIKey of 2-cyclopentyl-4-quinolin-4-ylbenzoic acid?
The InChIKey is CPATWHLHNLJLTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO2/c23-21(24)18-10-9-15(13-19(18)14-5-1-2-6-14)16-11-12-22-20-8-4-3-7-17(16)20/h3-4,7-14H,1-2,5-6H2,(H,23,24).
What are the key properties of 2-cyclopentyl-4-quinolin-4-ylbenzoic acid?
2-cyclopentyl-4-quinolin-4-ylbenzoic acid has a molecular weight of 317.39 g/mol, XLogP of 5.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-4-quinolin-4-ylbenzoic acid is sourced from PubChem (CID 164612222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).