4-(3-cyclopentylphenyl)-6,7-dimethoxy-3-thiophen-2-yl-1H-quinolin-2-one

C26H25NO3S — CID 50916130

IUPAC4-(3-cyclopentylphenyl)-6,7-dimethoxy-3-thiophen-2-yl-1H-quinolin-2-one
SMILESCOc1cc2[nH]c(=O)c(-c3cccs3)c(-c3cccc(C4CCCC4)c3)c2cc1OC
InChIInChI=1S/C26H25NO3S/c1-29-21-14-19-20(15-22(21)30-2)27-26(28)25(23-11-6-12-31-23)24(19)18-10-5-9-17(13-18)16-7-3-4-8-16/h5-6,9-16H,3-4,7-8H2,1-2H3,(H,27,28)
InChIKeyMWMKKJRCIMOWKJ-UHFFFAOYSA-N
MW431.56 g/mol
LogP6.60
Rot. Bonds5

About 4-(3-cyclopentylphenyl)-6,7-dimethoxy-3-thiophen-2-yl-1H-quinolin-2-one

4-(3-cyclopentylphenyl)-6,7-dimethoxy-3-thiophen-2-yl-1H-quinolin-2-one (PubChem CID 50916130) has the molecular formula C26H25NO3S and a molecular weight of 431.56 g/mol. Its IUPAC name is 4-(3-cyclopentylphenyl)-6,7-dimethoxy-3-thiophen-2-yl-1H-quinolin-2-one.

Molecular Properties

Compound Name4-(3-cyclopentylphenyl)-6,7-dimethoxy-3-thiophen-2-yl-1H-quinolin-2-one
PubChem CID50916130
Molecular FormulaC26H25NO3S
Molecular Weight431.56 g/mol
Exact Mass431.16
IUPAC Name4-(3-cyclopentylphenyl)-6,7-dimethoxy-3-thiophen-2-yl-1H-quinolin-2-one
SMILESCOc1cc2[nH]c(=O)c(-c3cccs3)c(-c3cccc(C4CCCC4)c3)c2cc1OC
InChIInChI=1S/C26H25NO3S/c1-29-21-14-19-20(15-22(21)30-2)27-26(28)25(23-11-6-12-31-23)24(19)18-10-5-9-17(13-18)16-7-3-4-8-16/h5-6,9-16H,3-4,7-8H2,1-2H3,(H,27,28)
InChIKeyMWMKKJRCIMOWKJ-UHFFFAOYSA-N
XLogP6.60
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.56
LogP ≤ 56.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(3-cyclopentylphenyl)-6,7-dimethoxy-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)-6,7-dimethoxy-3-thiophen-2-yl-1H-quinolin-2-one?
The IUPAC name of 4-(3-cyclopentylphenyl)-6,7-dimethoxy-3-thiophen-2-yl-1H-quinolin-2-one (CID 50916130) is 4-(3-cyclopentylphenyl)-6,7-dimethoxy-3-thiophen-2-yl-1H-quinolin-2-one.
What is the SMILES notation for 4-(3-cyclopentylphenyl)-6,7-dimethoxy-3-thiophen-2-yl-1H-quinolin-2-one?
The canonical SMILES for 4-(3-cyclopentylphenyl)-6,7-dimethoxy-3-thiophen-2-yl-1H-quinolin-2-one is COc1cc2[nH]c(=O)c(-c3cccs3)c(-c3cccc(C4CCCC4)c3)c2cc1OC.
What is the InChIKey of 4-(3-cyclopentylphenyl)-6,7-dimethoxy-3-thiophen-2-yl-1H-quinolin-2-one?
The InChIKey is MWMKKJRCIMOWKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25NO3S/c1-29-21-14-19-20(15-22(21)30-2)27-26(28)25(23-11-6-12-31-23)24(19)18-10-5-9-17(13-18)16-7-3-4-8-16/h5-6,9-16H,3-4,7-8H2,1-2H3,(H,27,28).
What are the key properties of 4-(3-cyclopentylphenyl)-6,7-dimethoxy-3-thiophen-2-yl-1H-quinolin-2-one?
4-(3-cyclopentylphenyl)-6,7-dimethoxy-3-thiophen-2-yl-1H-quinolin-2-one has a molecular weight of 431.56 g/mol, XLogP of 6.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclopentylphenyl)-6,7-dimethoxy-3-thiophen-2-yl-1H-quinolin-2-one is sourced from PubChem (CID 50916130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).