2-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide

C17H15N3O2S — CID 921905

IUPAC2-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
SMILESCc1ccccc1-n1c(SCC(N)=O)nc2ccccc2c1=O
InChIInChI=1S/C17H15N3O2S/c1-11-6-2-5-9-14(11)20-16(22)12-7-3-4-8-13(12)19-17(20)23-10-15(18)21/h2-9H,10H2,1H3,(H2,18,21)
InChIKeyAMKNCINOYKPVDD-UHFFFAOYSA-N
MW325.39 g/mol
LogP2.27
Rot. Bonds4

About 2-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide

2-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide (PubChem CID 921905) has the molecular formula C17H15N3O2S and a molecular weight of 325.39 g/mol. Its IUPAC name is 2-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide.

Molecular Properties

Compound Name2-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
PubChem CID921905
Molecular FormulaC17H15N3O2S
Molecular Weight325.39 g/mol
Exact Mass325.09
IUPAC Name2-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
SMILESCc1ccccc1-n1c(SCC(N)=O)nc2ccccc2c1=O
InChIInChI=1S/C17H15N3O2S/c1-11-6-2-5-9-14(11)20-16(22)12-7-3-4-8-13(12)19-17(20)23-10-15(18)21/h2-9H,10H2,1H3,(H2,18,21)
InChIKeyAMKNCINOYKPVDD-UHFFFAOYSA-N
XLogP2.27
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide?
The IUPAC name of 2-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide (CID 921905) is 2-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide.
What is the SMILES notation for 2-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide?
The canonical SMILES for 2-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide is Cc1ccccc1-n1c(SCC(N)=O)nc2ccccc2c1=O.
What is the InChIKey of 2-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide?
The InChIKey is AMKNCINOYKPVDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2S/c1-11-6-2-5-9-14(11)20-16(22)12-7-3-4-8-13(12)19-17(20)23-10-15(18)21/h2-9H,10H2,1H3,(H2,18,21).
What are the key properties of 2-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide?
2-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide has a molecular weight of 325.39 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide is sourced from PubChem (CID 921905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).