2-[2-(4-methylsulfanylphenyl)-4-oxo-2,3-dihydroquinazolin-1-yl]acetamide

C17H17N3O2S — CID 42942465

IUPAC2-[2-(4-methylsulfanylphenyl)-4-oxo-2,3-dihydroquinazolin-1-yl]acetamide
SMILESCSc1ccc(C2NC(=O)c3ccccc3N2CC(N)=O)cc1
InChIInChI=1S/C17H17N3O2S/c1-23-12-8-6-11(7-9-12)16-19-17(22)13-4-2-3-5-14(13)20(16)10-15(18)21/h2-9,16H,10H2,1H3,(H2,18,21)(H,19,22)
InChIKeyAKYHNBINOLZOGK-UHFFFAOYSA-N
MW327.41 g/mol
LogP2.14
Rot. Bonds4

About 2-[2-(4-methylsulfanylphenyl)-4-oxo-2,3-dihydroquinazolin-1-yl]acetamide

2-[2-(4-methylsulfanylphenyl)-4-oxo-2,3-dihydroquinazolin-1-yl]acetamide (PubChem CID 42942465) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is 2-[2-(4-methylsulfanylphenyl)-4-oxo-2,3-dihydroquinazolin-1-yl]acetamide.

Molecular Properties

Compound Name2-[2-(4-methylsulfanylphenyl)-4-oxo-2,3-dihydroquinazolin-1-yl]acetamide
PubChem CID42942465
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC Name2-[2-(4-methylsulfanylphenyl)-4-oxo-2,3-dihydroquinazolin-1-yl]acetamide
SMILESCSc1ccc(C2NC(=O)c3ccccc3N2CC(N)=O)cc1
InChIInChI=1S/C17H17N3O2S/c1-23-12-8-6-11(7-9-12)16-19-17(22)13-4-2-3-5-14(13)20(16)10-15(18)21/h2-9,16H,10H2,1H3,(H2,18,21)(H,19,22)
InChIKeyAKYHNBINOLZOGK-UHFFFAOYSA-N
XLogP2.14
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methylsulfanylphenyl)-4-oxo-2,3-dihydroquinazolin-1-yl]acetamide?
The IUPAC name of 2-[2-(4-methylsulfanylphenyl)-4-oxo-2,3-dihydroquinazolin-1-yl]acetamide (CID 42942465) is 2-[2-(4-methylsulfanylphenyl)-4-oxo-2,3-dihydroquinazolin-1-yl]acetamide.
What is the SMILES notation for 2-[2-(4-methylsulfanylphenyl)-4-oxo-2,3-dihydroquinazolin-1-yl]acetamide?
The canonical SMILES for 2-[2-(4-methylsulfanylphenyl)-4-oxo-2,3-dihydroquinazolin-1-yl]acetamide is CSc1ccc(C2NC(=O)c3ccccc3N2CC(N)=O)cc1.
What is the InChIKey of 2-[2-(4-methylsulfanylphenyl)-4-oxo-2,3-dihydroquinazolin-1-yl]acetamide?
The InChIKey is AKYHNBINOLZOGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S/c1-23-12-8-6-11(7-9-12)16-19-17(22)13-4-2-3-5-14(13)20(16)10-15(18)21/h2-9,16H,10H2,1H3,(H2,18,21)(H,19,22).
What are the key properties of 2-[2-(4-methylsulfanylphenyl)-4-oxo-2,3-dihydroquinazolin-1-yl]acetamide?
2-[2-(4-methylsulfanylphenyl)-4-oxo-2,3-dihydroquinazolin-1-yl]acetamide has a molecular weight of 327.41 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methylsulfanylphenyl)-4-oxo-2,3-dihydroquinazolin-1-yl]acetamide is sourced from PubChem (CID 42942465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).