2-(3,5-dimethylpiperidine-1-carbonyl)-5-methylthieno[3,2-c]quinolin-4-one

C20H22N2O2S — CID 126458201

IUPAC2-(3,5-dimethylpiperidine-1-carbonyl)-5-methylthieno[3,2-c]quinolin-4-one
SMILESCC1CC(C)CN(C(=O)c2cc3c(=O)n(C)c4ccccc4c3s2)C1
InChIInChI=1S/C20H22N2O2S/c1-12-8-13(2)11-22(10-12)20(24)17-9-15-18(25-17)14-6-4-5-7-16(14)21(3)19(15)23/h4-7,9,12-13H,8,10-11H2,1-3H3
InChIKeyQGEZTJSPXRMHCU-UHFFFAOYSA-N
MW354.48 g/mol
LogP3.87
Rot. Bonds1

About 2-(3,5-dimethylpiperidine-1-carbonyl)-5-methylthieno[3,2-c]quinolin-4-one

2-(3,5-dimethylpiperidine-1-carbonyl)-5-methylthieno[3,2-c]quinolin-4-one (PubChem CID 126458201) has the molecular formula C20H22N2O2S and a molecular weight of 354.48 g/mol. Its IUPAC name is 2-(3,5-dimethylpiperidine-1-carbonyl)-5-methylthieno[3,2-c]quinolin-4-one.

Molecular Properties

Compound Name2-(3,5-dimethylpiperidine-1-carbonyl)-5-methylthieno[3,2-c]quinolin-4-one
PubChem CID126458201
Molecular FormulaC20H22N2O2S
Molecular Weight354.48 g/mol
Exact Mass354.14
IUPAC Name2-(3,5-dimethylpiperidine-1-carbonyl)-5-methylthieno[3,2-c]quinolin-4-one
SMILESCC1CC(C)CN(C(=O)c2cc3c(=O)n(C)c4ccccc4c3s2)C1
InChIInChI=1S/C20H22N2O2S/c1-12-8-13(2)11-22(10-12)20(24)17-9-15-18(25-17)14-6-4-5-7-16(14)21(3)19(15)23/h4-7,9,12-13H,8,10-11H2,1-3H3
InChIKeyQGEZTJSPXRMHCU-UHFFFAOYSA-N
XLogP3.87
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(3,5-dimethylpiperidine-1-carbonyl)-5-methylthieno[3,2-c]quinolin-4-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 2-(3,5-dimethylpiperidine-1-carbonyl)-5-methylthieno[3,2-c]quinolin-4-one?
The IUPAC name of 2-(3,5-dimethylpiperidine-1-carbonyl)-5-methylthieno[3,2-c]quinolin-4-one (CID 126458201) is 2-(3,5-dimethylpiperidine-1-carbonyl)-5-methylthieno[3,2-c]quinolin-4-one.
What is the SMILES notation for 2-(3,5-dimethylpiperidine-1-carbonyl)-5-methylthieno[3,2-c]quinolin-4-one?
The canonical SMILES for 2-(3,5-dimethylpiperidine-1-carbonyl)-5-methylthieno[3,2-c]quinolin-4-one is CC1CC(C)CN(C(=O)c2cc3c(=O)n(C)c4ccccc4c3s2)C1.
What is the InChIKey of 2-(3,5-dimethylpiperidine-1-carbonyl)-5-methylthieno[3,2-c]quinolin-4-one?
The InChIKey is QGEZTJSPXRMHCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2S/c1-12-8-13(2)11-22(10-12)20(24)17-9-15-18(25-17)14-6-4-5-7-16(14)21(3)19(15)23/h4-7,9,12-13H,8,10-11H2,1-3H3.
What are the key properties of 2-(3,5-dimethylpiperidine-1-carbonyl)-5-methylthieno[3,2-c]quinolin-4-one?
2-(3,5-dimethylpiperidine-1-carbonyl)-5-methylthieno[3,2-c]quinolin-4-one has a molecular weight of 354.48 g/mol, XLogP of 3.87, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpiperidine-1-carbonyl)-5-methylthieno[3,2-c]quinolin-4-one is sourced from PubChem (CID 126458201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).