2-(4-methylquinolin-2-yl)sulfanyl-1-thiophen-2-ylethanone

C16H13NOS2 — CID 975240

IUPAC2-(4-methylquinolin-2-yl)sulfanyl-1-thiophen-2-ylethanone
SMILESCc1cc(SCC(=O)c2cccs2)nc2ccccc12
InChIInChI=1S/C16H13NOS2/c1-11-9-16(17-13-6-3-2-5-12(11)13)20-10-14(18)15-7-4-8-19-15/h2-9H,10H2,1H3
InChIKeyVXEOVLOPEUFQBB-UHFFFAOYSA-N
MW299.42 g/mol
LogP4.58
Rot. Bonds4

About 2-(4-methylquinolin-2-yl)sulfanyl-1-thiophen-2-ylethanone

2-(4-methylquinolin-2-yl)sulfanyl-1-thiophen-2-ylethanone (PubChem CID 975240) has the molecular formula C16H13NOS2 and a molecular weight of 299.42 g/mol. Its IUPAC name is 2-(4-methylquinolin-2-yl)sulfanyl-1-thiophen-2-ylethanone.

Molecular Properties

Compound Name2-(4-methylquinolin-2-yl)sulfanyl-1-thiophen-2-ylethanone
PubChem CID975240
Molecular FormulaC16H13NOS2
Molecular Weight299.42 g/mol
Exact Mass299.04
IUPAC Name2-(4-methylquinolin-2-yl)sulfanyl-1-thiophen-2-ylethanone
SMILESCc1cc(SCC(=O)c2cccs2)nc2ccccc12
InChIInChI=1S/C16H13NOS2/c1-11-9-16(17-13-6-3-2-5-12(11)13)20-10-14(18)15-7-4-8-19-15/h2-9H,10H2,1H3
InChIKeyVXEOVLOPEUFQBB-UHFFFAOYSA-N
XLogP4.58
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylquinolin-2-yl)sulfanyl-1-thiophen-2-ylethanone?
The IUPAC name of 2-(4-methylquinolin-2-yl)sulfanyl-1-thiophen-2-ylethanone (CID 975240) is 2-(4-methylquinolin-2-yl)sulfanyl-1-thiophen-2-ylethanone.
What is the SMILES notation for 2-(4-methylquinolin-2-yl)sulfanyl-1-thiophen-2-ylethanone?
The canonical SMILES for 2-(4-methylquinolin-2-yl)sulfanyl-1-thiophen-2-ylethanone is Cc1cc(SCC(=O)c2cccs2)nc2ccccc12.
What is the InChIKey of 2-(4-methylquinolin-2-yl)sulfanyl-1-thiophen-2-ylethanone?
The InChIKey is VXEOVLOPEUFQBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NOS2/c1-11-9-16(17-13-6-3-2-5-12(11)13)20-10-14(18)15-7-4-8-19-15/h2-9H,10H2,1H3.
What are the key properties of 2-(4-methylquinolin-2-yl)sulfanyl-1-thiophen-2-ylethanone?
2-(4-methylquinolin-2-yl)sulfanyl-1-thiophen-2-ylethanone has a molecular weight of 299.42 g/mol, XLogP of 4.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylquinolin-2-yl)sulfanyl-1-thiophen-2-ylethanone is sourced from PubChem (CID 975240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).