2-(4-methylsulfanylphenyl)-2,3-dihydro-1H-quinazolin-4-one

C15H14N2OS — CID 2867455

IUPAC2-(4-methylsulfanylphenyl)-2,3-dihydro-1H-quinazolin-4-one
SMILESCSc1ccc(C2NC(=O)c3ccccc3N2)cc1
InChIInChI=1S/C15H14N2OS/c1-19-11-8-6-10(7-9-11)14-16-13-5-3-2-4-12(13)15(18)17-14/h2-9,14,16H,1H3,(H,17,18)
InChIKeyHUKYJQCDNYBMJL-UHFFFAOYSA-N
MW270.36 g/mol
LogP3.26
Rot. Bonds2

About 2-(4-methylsulfanylphenyl)-2,3-dihydro-1H-quinazolin-4-one

2-(4-methylsulfanylphenyl)-2,3-dihydro-1H-quinazolin-4-one (PubChem CID 2867455) has the molecular formula C15H14N2OS and a molecular weight of 270.36 g/mol. Its IUPAC name is 2-(4-methylsulfanylphenyl)-2,3-dihydro-1H-quinazolin-4-one.

Molecular Properties

Compound Name2-(4-methylsulfanylphenyl)-2,3-dihydro-1H-quinazolin-4-one
PubChem CID2867455
Molecular FormulaC15H14N2OS
Molecular Weight270.36 g/mol
Exact Mass270.08
IUPAC Name2-(4-methylsulfanylphenyl)-2,3-dihydro-1H-quinazolin-4-one
SMILESCSc1ccc(C2NC(=O)c3ccccc3N2)cc1
InChIInChI=1S/C15H14N2OS/c1-19-11-8-6-10(7-9-11)14-16-13-5-3-2-4-12(13)15(18)17-14/h2-9,14,16H,1H3,(H,17,18)
InChIKeyHUKYJQCDNYBMJL-UHFFFAOYSA-N
XLogP3.26
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylsulfanylphenyl)-2,3-dihydro-1H-quinazolin-4-one?
The IUPAC name of 2-(4-methylsulfanylphenyl)-2,3-dihydro-1H-quinazolin-4-one (CID 2867455) is 2-(4-methylsulfanylphenyl)-2,3-dihydro-1H-quinazolin-4-one.
What is the SMILES notation for 2-(4-methylsulfanylphenyl)-2,3-dihydro-1H-quinazolin-4-one?
The canonical SMILES for 2-(4-methylsulfanylphenyl)-2,3-dihydro-1H-quinazolin-4-one is CSc1ccc(C2NC(=O)c3ccccc3N2)cc1.
What is the InChIKey of 2-(4-methylsulfanylphenyl)-2,3-dihydro-1H-quinazolin-4-one?
The InChIKey is HUKYJQCDNYBMJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2OS/c1-19-11-8-6-10(7-9-11)14-16-13-5-3-2-4-12(13)15(18)17-14/h2-9,14,16H,1H3,(H,17,18).
What are the key properties of 2-(4-methylsulfanylphenyl)-2,3-dihydro-1H-quinazolin-4-one?
2-(4-methylsulfanylphenyl)-2,3-dihydro-1H-quinazolin-4-one has a molecular weight of 270.36 g/mol, XLogP of 3.26, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylsulfanylphenyl)-2,3-dihydro-1H-quinazolin-4-one is sourced from PubChem (CID 2867455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).