4-(3-cyclopentylphenyl)-3-thiophen-2-yl-1H-quinolin-2-one

C24H21NOS — CID 50916128

IUPAC4-(3-cyclopentylphenyl)-3-thiophen-2-yl-1H-quinolin-2-one
SMILESO=c1[nH]c2ccccc2c(-c2cccc(C3CCCC3)c2)c1-c1cccs1
InChIInChI=1S/C24H21NOS/c26-24-23(21-13-6-14-27-21)22(19-11-3-4-12-20(19)25-24)18-10-5-9-17(15-18)16-7-1-2-8-16/h3-6,9-16H,1-2,7-8H2,(H,25,26)
InChIKeyDKRQJBKUACGRPG-UHFFFAOYSA-N
MW371.51 g/mol
LogP6.58
Rot. Bonds3

About 4-(3-cyclopentylphenyl)-3-thiophen-2-yl-1H-quinolin-2-one

4-(3-cyclopentylphenyl)-3-thiophen-2-yl-1H-quinolin-2-one (PubChem CID 50916128) has the molecular formula C24H21NOS and a molecular weight of 371.51 g/mol. Its IUPAC name is 4-(3-cyclopentylphenyl)-3-thiophen-2-yl-1H-quinolin-2-one.

Molecular Properties

Compound Name4-(3-cyclopentylphenyl)-3-thiophen-2-yl-1H-quinolin-2-one
PubChem CID50916128
Molecular FormulaC24H21NOS
Molecular Weight371.51 g/mol
Exact Mass371.13
IUPAC Name4-(3-cyclopentylphenyl)-3-thiophen-2-yl-1H-quinolin-2-one
SMILESO=c1[nH]c2ccccc2c(-c2cccc(C3CCCC3)c2)c1-c1cccs1
InChIInChI=1S/C24H21NOS/c26-24-23(21-13-6-14-27-21)22(19-11-3-4-12-20(19)25-24)18-10-5-9-17(15-18)16-7-1-2-8-16/h3-6,9-16H,1-2,7-8H2,(H,25,26)
InChIKeyDKRQJBKUACGRPG-UHFFFAOYSA-N
XLogP6.58
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.51
LogP ≤ 56.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(3-cyclopentylphenyl)-3-thiophen-2-yl-1H-quinolin-2-one 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 4-(3-cyclopentylphenyl)-3-thiophen-2-yl-1H-quinolin-2-one?
The IUPAC name of 4-(3-cyclopentylphenyl)-3-thiophen-2-yl-1H-quinolin-2-one (CID 50916128) is 4-(3-cyclopentylphenyl)-3-thiophen-2-yl-1H-quinolin-2-one.
What is the SMILES notation for 4-(3-cyclopentylphenyl)-3-thiophen-2-yl-1H-quinolin-2-one?
The canonical SMILES for 4-(3-cyclopentylphenyl)-3-thiophen-2-yl-1H-quinolin-2-one is O=c1[nH]c2ccccc2c(-c2cccc(C3CCCC3)c2)c1-c1cccs1.
What is the InChIKey of 4-(3-cyclopentylphenyl)-3-thiophen-2-yl-1H-quinolin-2-one?
The InChIKey is DKRQJBKUACGRPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NOS/c26-24-23(21-13-6-14-27-21)22(19-11-3-4-12-20(19)25-24)18-10-5-9-17(15-18)16-7-1-2-8-16/h3-6,9-16H,1-2,7-8H2,(H,25,26).
What are the key properties of 4-(3-cyclopentylphenyl)-3-thiophen-2-yl-1H-quinolin-2-one?
4-(3-cyclopentylphenyl)-3-thiophen-2-yl-1H-quinolin-2-one has a molecular weight of 371.51 g/mol, XLogP of 6.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclopentylphenyl)-3-thiophen-2-yl-1H-quinolin-2-one is sourced from PubChem (CID 50916128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).