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

C15H11NOS — CID 164677279

IUPAC(2-methylquinolin-3-yl)-thiophen-2-ylmethanone
SMILESCc1nc2ccccc2cc1C(=O)c1cccs1
InChIInChI=1S/C15H11NOS/c1-10-12(15(17)14-7-4-8-18-14)9-11-5-2-3-6-13(11)16-10/h2-9H,1H3
InChIKeyJMDDUNCJBWBTHU-UHFFFAOYSA-N
MW253.33 g/mol
LogP3.84
Rot. Bonds2

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

(2-methylquinolin-3-yl)-thiophen-2-ylmethanone (PubChem CID 164677279) has the molecular formula C15H11NOS and a molecular weight of 253.33 g/mol. Its IUPAC name is (2-methylquinolin-3-yl)-thiophen-2-ylmethanone.

Molecular Properties

Compound Name(2-methylquinolin-3-yl)-thiophen-2-ylmethanone
PubChem CID164677279
Molecular FormulaC15H11NOS
Molecular Weight253.33 g/mol
Exact Mass253.06
IUPAC Name(2-methylquinolin-3-yl)-thiophen-2-ylmethanone
SMILESCc1nc2ccccc2cc1C(=O)c1cccs1
InChIInChI=1S/C15H11NOS/c1-10-12(15(17)14-7-4-8-18-14)9-11-5-2-3-6-13(11)16-10/h2-9H,1H3
InChIKeyJMDDUNCJBWBTHU-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

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Frequently Asked Questions

What is the IUPAC name of (2-methylquinolin-3-yl)-thiophen-2-ylmethanone?
The IUPAC name of (2-methylquinolin-3-yl)-thiophen-2-ylmethanone (CID 164677279) is (2-methylquinolin-3-yl)-thiophen-2-ylmethanone.
What is the SMILES notation for (2-methylquinolin-3-yl)-thiophen-2-ylmethanone?
The canonical SMILES for (2-methylquinolin-3-yl)-thiophen-2-ylmethanone is Cc1nc2ccccc2cc1C(=O)c1cccs1.
What is the InChIKey of (2-methylquinolin-3-yl)-thiophen-2-ylmethanone?
The InChIKey is JMDDUNCJBWBTHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NOS/c1-10-12(15(17)14-7-4-8-18-14)9-11-5-2-3-6-13(11)16-10/h2-9H,1H3.
What are the key properties of (2-methylquinolin-3-yl)-thiophen-2-ylmethanone?
(2-methylquinolin-3-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 (2-methylquinolin-3-yl)-thiophen-2-ylmethanone is sourced from PubChem (CID 164677279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).