2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-(2-methylpiperidin-1-yl)sulfonylquinoline

C24H27N3O2S — CID 50760442

IUPAC2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-(2-methylpiperidin-1-yl)sulfonylquinoline
SMILESCC1CCCCN1S(=O)(=O)c1ccc2nc(N3CCc4ccccc4C3)ccc2c1
InChIInChI=1S/C24H27N3O2S/c1-18-6-4-5-14-27(18)30(28,29)22-10-11-23-20(16-22)9-12-24(25-23)26-15-13-19-7-2-3-8-21(19)17-26/h2-3,7-12,16,18H,4-6,13-15,17H2,1H3
InChIKeyLXQDTOSPWVBMIU-UHFFFAOYSA-N
MW421.57 g/mol
LogP4.36
Rot. Bonds3

About 2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-(2-methylpiperidin-1-yl)sulfonylquinoline

2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-(2-methylpiperidin-1-yl)sulfonylquinoline (PubChem CID 50760442) has the molecular formula C24H27N3O2S and a molecular weight of 421.57 g/mol. Its IUPAC name is 2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-(2-methylpiperidin-1-yl)sulfonylquinoline.

Molecular Properties

Compound Name2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-(2-methylpiperidin-1-yl)sulfonylquinoline
PubChem CID50760442
Molecular FormulaC24H27N3O2S
Molecular Weight421.57 g/mol
Exact Mass421.18
IUPAC Name2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-(2-methylpiperidin-1-yl)sulfonylquinoline
SMILESCC1CCCCN1S(=O)(=O)c1ccc2nc(N3CCc4ccccc4C3)ccc2c1
InChIInChI=1S/C24H27N3O2S/c1-18-6-4-5-14-27(18)30(28,29)22-10-11-23-20(16-22)9-12-24(25-23)26-15-13-19-7-2-3-8-21(19)17-26/h2-3,7-12,16,18H,4-6,13-15,17H2,1H3
InChIKeyLXQDTOSPWVBMIU-UHFFFAOYSA-N
XLogP4.36
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.57
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-(2-methylpiperidin-1-yl)sulfonylquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,3-dihydroindol-1-yl)-6-[(2R)-2-methylpiperidin-1-yl]sulfonylquinoline
CID 92887015
6-[(2R)-2-methylpiperidin-1-yl]sulfonyl-2-piperidin-1-ylquinoline
CID 92887045
2-(azepan-1-yl)-6-[(2S)-2-methylpiperidin-1-yl]sulfonylquinoline
CID 92864402
2-(azepan-1-yl)-6-(2-methylpiperidin-1-yl)sulfonylquinoline
CID 46283450
2-methyl-1-naphthalen-2-ylsulfonylpiperidine
CID 3745150
6-(2-methylpyrrolidin-1-yl)sulfonylquinolin-2-amine
CID 62162789
N-(3-methoxyphenyl)-6-[(2R)-2-methylpiperidin-1-yl]sulfonylquinolin-2-amine
CID 92887004
2-(2-methylpiperidin-1-yl)sulfonylanthracene-9,10-dione
CID 3801619
[6-[(2R)-2-methylpiperidin-1-yl]sulfonyl-1,3-benzothiazol-2-yl]hydrazine
CID 99966649
2-(4-benzylpiperidin-1-yl)-6-pyrrolidin-1-ylsulfonylquinoline
CID 46283416
2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-6-(4-methylpiperidin-1-yl)sulfonylquinoline
CID 92886998
1-(3,4-difluorophenyl)sulfonyl-2-methylpiperidine
CID 3701058

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-(2-methylpiperidin-1-yl)sulfonylquinoline?
The IUPAC name of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-(2-methylpiperidin-1-yl)sulfonylquinoline (CID 50760442) is 2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-(2-methylpiperidin-1-yl)sulfonylquinoline.
What is the SMILES notation for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-(2-methylpiperidin-1-yl)sulfonylquinoline?
The canonical SMILES for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-(2-methylpiperidin-1-yl)sulfonylquinoline is CC1CCCCN1S(=O)(=O)c1ccc2nc(N3CCc4ccccc4C3)ccc2c1.
What is the InChIKey of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-(2-methylpiperidin-1-yl)sulfonylquinoline?
The InChIKey is LXQDTOSPWVBMIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2S/c1-18-6-4-5-14-27(18)30(28,29)22-10-11-23-20(16-22)9-12-24(25-23)26-15-13-19-7-2-3-8-21(19)17-26/h2-3,7-12,16,18H,4-6,13-15,17H2,1H3.
What are the key properties of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-(2-methylpiperidin-1-yl)sulfonylquinoline?
2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-(2-methylpiperidin-1-yl)sulfonylquinoline has a molecular weight of 421.57 g/mol, XLogP of 4.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-(2-methylpiperidin-1-yl)sulfonylquinoline is sourced from PubChem (CID 50760442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).