(6-methylquinolin-2-yl)-thiophen-2-ylmethanone

C15H11NOS — CID 164677059

IUPAC(6-methylquinolin-2-yl)-thiophen-2-ylmethanone
SMILESCc1ccc2nc(C(=O)c3cccs3)ccc2c1
InChIInChI=1S/C15H11NOS/c1-10-4-6-12-11(9-10)5-7-13(16-12)15(17)14-3-2-8-18-14/h2-9H,1H3
InChIKeyMSMXGPVRNPQHJF-UHFFFAOYSA-N
MW253.33 g/mol
LogP3.84
Rot. Bonds2

About (6-methylquinolin-2-yl)-thiophen-2-ylmethanone

(6-methylquinolin-2-yl)-thiophen-2-ylmethanone (PubChem CID 164677059) has the molecular formula C15H11NOS and a molecular weight of 253.33 g/mol. Its IUPAC name is (6-methylquinolin-2-yl)-thiophen-2-ylmethanone.

Molecular Properties

Compound Name(6-methylquinolin-2-yl)-thiophen-2-ylmethanone
PubChem CID164677059
Molecular FormulaC15H11NOS
Molecular Weight253.33 g/mol
Exact Mass253.06
IUPAC Name(6-methylquinolin-2-yl)-thiophen-2-ylmethanone
SMILESCc1ccc2nc(C(=O)c3cccs3)ccc2c1
InChIInChI=1S/C15H11NOS/c1-10-4-6-12-11(9-10)5-7-13(16-12)15(17)14-3-2-8-18-14/h2-9H,1H3
InChIKeyMSMXGPVRNPQHJF-UHFFFAOYSA-N
XLogP3.84
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (6-methylquinolin-2-yl)-thiophen-2-ylmethanone 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 (6-methylquinolin-2-yl)-thiophen-2-ylmethanone?
The IUPAC name of (6-methylquinolin-2-yl)-thiophen-2-ylmethanone (CID 164677059) is (6-methylquinolin-2-yl)-thiophen-2-ylmethanone.
What is the SMILES notation for (6-methylquinolin-2-yl)-thiophen-2-ylmethanone?
The canonical SMILES for (6-methylquinolin-2-yl)-thiophen-2-ylmethanone is Cc1ccc2nc(C(=O)c3cccs3)ccc2c1.
What is the InChIKey of (6-methylquinolin-2-yl)-thiophen-2-ylmethanone?
The InChIKey is MSMXGPVRNPQHJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NOS/c1-10-4-6-12-11(9-10)5-7-13(16-12)15(17)14-3-2-8-18-14/h2-9H,1H3.
What are the key properties of (6-methylquinolin-2-yl)-thiophen-2-ylmethanone?
(6-methylquinolin-2-yl)-thiophen-2-ylmethanone has a molecular weight of 253.33 g/mol, XLogP of 3.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methylquinolin-2-yl)-thiophen-2-ylmethanone is sourced from PubChem (CID 164677059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).