(2-methylquinolin-6-yl)-thiophen-3-ylmethanone

C15H11NOS — CID 81216754

IUPAC(2-methylquinolin-6-yl)-thiophen-3-ylmethanone
SMILESCc1ccc2cc(C(=O)c3ccsc3)ccc2n1
InChIInChI=1S/C15H11NOS/c1-10-2-3-11-8-12(4-5-14(11)16-10)15(17)13-6-7-18-9-13/h2-9H,1H3
InChIKeyAHXVEJVYKNUVOE-UHFFFAOYSA-N
MW253.33 g/mol
LogP3.84
Rot. Bonds2

About (2-methylquinolin-6-yl)-thiophen-3-ylmethanone

(2-methylquinolin-6-yl)-thiophen-3-ylmethanone (PubChem CID 81216754) has the molecular formula C15H11NOS and a molecular weight of 253.33 g/mol. Its IUPAC name is (2-methylquinolin-6-yl)-thiophen-3-ylmethanone.

Molecular Properties

Compound Name(2-methylquinolin-6-yl)-thiophen-3-ylmethanone
PubChem CID81216754
Molecular FormulaC15H11NOS
Molecular Weight253.33 g/mol
Exact Mass253.06
IUPAC Name(2-methylquinolin-6-yl)-thiophen-3-ylmethanone
SMILESCc1ccc2cc(C(=O)c3ccsc3)ccc2n1
InChIInChI=1S/C15H11NOS/c1-10-2-3-11-8-12(4-5-14(11)16-10)15(17)13-6-7-18-9-13/h2-9H,1H3
InChIKeyAHXVEJVYKNUVOE-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 (2-methylquinolin-6-yl)-thiophen-3-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 (2-methylquinolin-6-yl)-thiophen-3-ylmethanone?
The IUPAC name of (2-methylquinolin-6-yl)-thiophen-3-ylmethanone (CID 81216754) is (2-methylquinolin-6-yl)-thiophen-3-ylmethanone.
What is the SMILES notation for (2-methylquinolin-6-yl)-thiophen-3-ylmethanone?
The canonical SMILES for (2-methylquinolin-6-yl)-thiophen-3-ylmethanone is Cc1ccc2cc(C(=O)c3ccsc3)ccc2n1.
What is the InChIKey of (2-methylquinolin-6-yl)-thiophen-3-ylmethanone?
The InChIKey is AHXVEJVYKNUVOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NOS/c1-10-2-3-11-8-12(4-5-14(11)16-10)15(17)13-6-7-18-9-13/h2-9H,1H3.
What are the key properties of (2-methylquinolin-6-yl)-thiophen-3-ylmethanone?
(2-methylquinolin-6-yl)-thiophen-3-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 (2-methylquinolin-6-yl)-thiophen-3-ylmethanone is sourced from PubChem (CID 81216754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).