2-(7-chloro-3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanylacetamide

C16H18ClN3O2S — CID 2565849

IUPAC2-(7-chloro-3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanylacetamide
SMILESNC(=O)CSc1nc2cc(Cl)ccc2c(=O)n1C1CCCCC1
InChIInChI=1S/C16H18ClN3O2S/c17-10-6-7-12-13(8-10)19-16(23-9-14(18)21)20(15(12)22)11-4-2-1-3-5-11/h6-8,11H,1-5,9H2,(H2,18,21)
InChIKeyLCHKLTNNOHTJAV-UHFFFAOYSA-N
MW351.86 g/mol
LogP3.13
Rot. Bonds4

About 2-(7-chloro-3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanylacetamide

2-(7-chloro-3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanylacetamide (PubChem CID 2565849) has the molecular formula C16H18ClN3O2S and a molecular weight of 351.86 g/mol. Its IUPAC name is 2-(7-chloro-3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanylacetamide.

Molecular Properties

Compound Name2-(7-chloro-3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanylacetamide
PubChem CID2565849
Molecular FormulaC16H18ClN3O2S
Molecular Weight351.86 g/mol
Exact Mass351.08
IUPAC Name2-(7-chloro-3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanylacetamide
SMILESNC(=O)CSc1nc2cc(Cl)ccc2c(=O)n1C1CCCCC1
InChIInChI=1S/C16H18ClN3O2S/c17-10-6-7-12-13(8-10)19-16(23-9-14(18)21)20(15(12)22)11-4-2-1-3-5-11/h6-8,11H,1-5,9H2,(H2,18,21)
InChIKeyLCHKLTNNOHTJAV-UHFFFAOYSA-N
XLogP3.13
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.86
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(7-chloro-3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanylacetamide 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-(7-chloro-3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanylacetamide?
The IUPAC name of 2-(7-chloro-3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanylacetamide (CID 2565849) is 2-(7-chloro-3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanylacetamide.
What is the SMILES notation for 2-(7-chloro-3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanylacetamide?
The canonical SMILES for 2-(7-chloro-3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanylacetamide is NC(=O)CSc1nc2cc(Cl)ccc2c(=O)n1C1CCCCC1.
What is the InChIKey of 2-(7-chloro-3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanylacetamide?
The InChIKey is LCHKLTNNOHTJAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O2S/c17-10-6-7-12-13(8-10)19-16(23-9-14(18)21)20(15(12)22)11-4-2-1-3-5-11/h6-8,11H,1-5,9H2,(H2,18,21).
What are the key properties of 2-(7-chloro-3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanylacetamide?
2-(7-chloro-3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanylacetamide has a molecular weight of 351.86 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloro-3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanylacetamide is sourced from PubChem (CID 2565849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).