1-(benzenesulfonyl)-6-pyridin-3-yl-3,4-dihydro-2H-quinoline

C20H18N2O2S — CID 118714838

IUPAC1-(benzenesulfonyl)-6-pyridin-3-yl-3,4-dihydro-2H-quinoline
SMILESO=S(=O)(c1ccccc1)N1CCCc2cc(-c3cccnc3)ccc21
InChIInChI=1S/C20H18N2O2S/c23-25(24,19-8-2-1-3-9-19)22-13-5-7-17-14-16(10-11-20(17)22)18-6-4-12-21-15-18/h1-4,6,8-12,14-15H,5,7,13H2
InChIKeyJOQVFYVLPZOLLE-UHFFFAOYSA-N
MW350.44 g/mol
LogP3.89
Rot. Bonds3

About 1-(benzenesulfonyl)-6-pyridin-3-yl-3,4-dihydro-2H-quinoline

1-(benzenesulfonyl)-6-pyridin-3-yl-3,4-dihydro-2H-quinoline (PubChem CID 118714838) has the molecular formula C20H18N2O2S and a molecular weight of 350.44 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-6-pyridin-3-yl-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1-(benzenesulfonyl)-6-pyridin-3-yl-3,4-dihydro-2H-quinoline
PubChem CID118714838
Molecular FormulaC20H18N2O2S
Molecular Weight350.44 g/mol
Exact Mass350.11
IUPAC Name1-(benzenesulfonyl)-6-pyridin-3-yl-3,4-dihydro-2H-quinoline
SMILESO=S(=O)(c1ccccc1)N1CCCc2cc(-c3cccnc3)ccc21
InChIInChI=1S/C20H18N2O2S/c23-25(24,19-8-2-1-3-9-19)22-13-5-7-17-14-16(10-11-20(17)22)18-6-4-12-21-15-18/h1-4,6,8-12,14-15H,5,7,13H2
InChIKeyJOQVFYVLPZOLLE-UHFFFAOYSA-N
XLogP3.89
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(benzenesulfonyl)-6-pyridin-3-yl-3,4-dihydro-2H-quinoline 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 1-(benzenesulfonyl)-6-pyridin-3-yl-3,4-dihydro-2H-quinoline?
The IUPAC name of 1-(benzenesulfonyl)-6-pyridin-3-yl-3,4-dihydro-2H-quinoline (CID 118714838) is 1-(benzenesulfonyl)-6-pyridin-3-yl-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1-(benzenesulfonyl)-6-pyridin-3-yl-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1-(benzenesulfonyl)-6-pyridin-3-yl-3,4-dihydro-2H-quinoline is O=S(=O)(c1ccccc1)N1CCCc2cc(-c3cccnc3)ccc21.
What is the InChIKey of 1-(benzenesulfonyl)-6-pyridin-3-yl-3,4-dihydro-2H-quinoline?
The InChIKey is JOQVFYVLPZOLLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2S/c23-25(24,19-8-2-1-3-9-19)22-13-5-7-17-14-16(10-11-20(17)22)18-6-4-12-21-15-18/h1-4,6,8-12,14-15H,5,7,13H2.
What are the key properties of 1-(benzenesulfonyl)-6-pyridin-3-yl-3,4-dihydro-2H-quinoline?
1-(benzenesulfonyl)-6-pyridin-3-yl-3,4-dihydro-2H-quinoline has a molecular weight of 350.44 g/mol, XLogP of 3.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-6-pyridin-3-yl-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 118714838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).