(6-methyl-3-phenylquinolin-2-yl)-thiophen-2-ylmethanone

C21H15NOS — CID 164678287

IUPAC(6-methyl-3-phenylquinolin-2-yl)-thiophen-2-ylmethanone
SMILESCc1ccc2nc(C(=O)c3cccs3)c(-c3ccccc3)cc2c1
InChIInChI=1S/C21H15NOS/c1-14-9-10-18-16(12-14)13-17(15-6-3-2-4-7-15)20(22-18)21(23)19-8-5-11-24-19/h2-13H,1H3
InChIKeyAWKXYDPYUYJBHH-UHFFFAOYSA-N
MW329.42 g/mol
LogP5.50
Rot. Bonds3

About (6-methyl-3-phenylquinolin-2-yl)-thiophen-2-ylmethanone

(6-methyl-3-phenylquinolin-2-yl)-thiophen-2-ylmethanone (PubChem CID 164678287) has the molecular formula C21H15NOS and a molecular weight of 329.42 g/mol. Its IUPAC name is (6-methyl-3-phenylquinolin-2-yl)-thiophen-2-ylmethanone.

Molecular Properties

Compound Name(6-methyl-3-phenylquinolin-2-yl)-thiophen-2-ylmethanone
PubChem CID164678287
Molecular FormulaC21H15NOS
Molecular Weight329.42 g/mol
Exact Mass329.09
IUPAC Name(6-methyl-3-phenylquinolin-2-yl)-thiophen-2-ylmethanone
SMILESCc1ccc2nc(C(=O)c3cccs3)c(-c3ccccc3)cc2c1
InChIInChI=1S/C21H15NOS/c1-14-9-10-18-16(12-14)13-17(15-6-3-2-4-7-15)20(22-18)21(23)19-8-5-11-24-19/h2-13H,1H3
InChIKeyAWKXYDPYUYJBHH-UHFFFAOYSA-N
XLogP5.50
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.42
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6-methyl-3-phenylquinolin-2-yl)-thiophen-2-ylmethanone?
The IUPAC name of (6-methyl-3-phenylquinolin-2-yl)-thiophen-2-ylmethanone (CID 164678287) is (6-methyl-3-phenylquinolin-2-yl)-thiophen-2-ylmethanone.
What is the SMILES notation for (6-methyl-3-phenylquinolin-2-yl)-thiophen-2-ylmethanone?
The canonical SMILES for (6-methyl-3-phenylquinolin-2-yl)-thiophen-2-ylmethanone is Cc1ccc2nc(C(=O)c3cccs3)c(-c3ccccc3)cc2c1.
What is the InChIKey of (6-methyl-3-phenylquinolin-2-yl)-thiophen-2-ylmethanone?
The InChIKey is AWKXYDPYUYJBHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15NOS/c1-14-9-10-18-16(12-14)13-17(15-6-3-2-4-7-15)20(22-18)21(23)19-8-5-11-24-19/h2-13H,1H3.
What are the key properties of (6-methyl-3-phenylquinolin-2-yl)-thiophen-2-ylmethanone?
(6-methyl-3-phenylquinolin-2-yl)-thiophen-2-ylmethanone has a molecular weight of 329.42 g/mol, XLogP of 5.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-3-phenylquinolin-2-yl)-thiophen-2-ylmethanone is sourced from PubChem (CID 164678287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).