3-cyclopropyl-2-(2-oxo-2-thiophen-2-ylethyl)sulfanylquinazolin-4-one

C17H14N2O2S2 — CID 8979981

IUPAC3-cyclopropyl-2-(2-oxo-2-thiophen-2-ylethyl)sulfanylquinazolin-4-one
SMILESO=C(CSc1nc2ccccc2c(=O)n1C1CC1)c1cccs1
InChIInChI=1S/C17H14N2O2S2/c20-14(15-6-3-9-22-15)10-23-17-18-13-5-2-1-4-12(13)16(21)19(17)11-7-8-11/h1-6,9,11H,7-8,10H2
InChIKeyHOHSLVQEVPRIBK-UHFFFAOYSA-N
MW342.45 g/mol
LogP3.77
Rot. Bonds5

About 3-cyclopropyl-2-(2-oxo-2-thiophen-2-ylethyl)sulfanylquinazolin-4-one

3-cyclopropyl-2-(2-oxo-2-thiophen-2-ylethyl)sulfanylquinazolin-4-one (PubChem CID 8979981) has the molecular formula C17H14N2O2S2 and a molecular weight of 342.45 g/mol. Its IUPAC name is 3-cyclopropyl-2-(2-oxo-2-thiophen-2-ylethyl)sulfanylquinazolin-4-one.

Molecular Properties

Compound Name3-cyclopropyl-2-(2-oxo-2-thiophen-2-ylethyl)sulfanylquinazolin-4-one
PubChem CID8979981
Molecular FormulaC17H14N2O2S2
Molecular Weight342.45 g/mol
Exact Mass342.05
IUPAC Name3-cyclopropyl-2-(2-oxo-2-thiophen-2-ylethyl)sulfanylquinazolin-4-one
SMILESO=C(CSc1nc2ccccc2c(=O)n1C1CC1)c1cccs1
InChIInChI=1S/C17H14N2O2S2/c20-14(15-6-3-9-22-15)10-23-17-18-13-5-2-1-4-12(13)16(21)19(17)11-7-8-11/h1-6,9,11H,7-8,10H2
InChIKeyHOHSLVQEVPRIBK-UHFFFAOYSA-N
XLogP3.77
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-2-(2-oxo-2-thiophen-2-ylethyl)sulfanylquinazolin-4-one?
The IUPAC name of 3-cyclopropyl-2-(2-oxo-2-thiophen-2-ylethyl)sulfanylquinazolin-4-one (CID 8979981) is 3-cyclopropyl-2-(2-oxo-2-thiophen-2-ylethyl)sulfanylquinazolin-4-one.
What is the SMILES notation for 3-cyclopropyl-2-(2-oxo-2-thiophen-2-ylethyl)sulfanylquinazolin-4-one?
The canonical SMILES for 3-cyclopropyl-2-(2-oxo-2-thiophen-2-ylethyl)sulfanylquinazolin-4-one is O=C(CSc1nc2ccccc2c(=O)n1C1CC1)c1cccs1.
What is the InChIKey of 3-cyclopropyl-2-(2-oxo-2-thiophen-2-ylethyl)sulfanylquinazolin-4-one?
The InChIKey is HOHSLVQEVPRIBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2S2/c20-14(15-6-3-9-22-15)10-23-17-18-13-5-2-1-4-12(13)16(21)19(17)11-7-8-11/h1-6,9,11H,7-8,10H2.
What are the key properties of 3-cyclopropyl-2-(2-oxo-2-thiophen-2-ylethyl)sulfanylquinazolin-4-one?
3-cyclopropyl-2-(2-oxo-2-thiophen-2-ylethyl)sulfanylquinazolin-4-one has a molecular weight of 342.45 g/mol, XLogP of 3.77, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-2-(2-oxo-2-thiophen-2-ylethyl)sulfanylquinazolin-4-one is sourced from PubChem (CID 8979981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).