2-benzylsulfanyl-6,7-dihydro-5H-quinazolin-8-one

C15H14N2OS — CID 57444113

IUPAC2-benzylsulfanyl-6,7-dihydro-5H-quinazolin-8-one
SMILESO=C1CCCc2cnc(SCc3ccccc3)nc21
InChIInChI=1S/C15H14N2OS/c18-13-8-4-7-12-9-16-15(17-14(12)13)19-10-11-5-2-1-3-6-11/h1-3,5-6,9H,4,7-8,10H2
InChIKeyAZYZXHAWWJMPHT-UHFFFAOYSA-N
MW270.36 g/mol
LogP3.29
Rot. Bonds3

About 2-benzylsulfanyl-6,7-dihydro-5H-quinazolin-8-one

2-benzylsulfanyl-6,7-dihydro-5H-quinazolin-8-one (PubChem CID 57444113) has the molecular formula C15H14N2OS and a molecular weight of 270.36 g/mol. Its IUPAC name is 2-benzylsulfanyl-6,7-dihydro-5H-quinazolin-8-one.

Molecular Properties

Compound Name2-benzylsulfanyl-6,7-dihydro-5H-quinazolin-8-one
PubChem CID57444113
Molecular FormulaC15H14N2OS
Molecular Weight270.36 g/mol
Exact Mass270.08
IUPAC Name2-benzylsulfanyl-6,7-dihydro-5H-quinazolin-8-one
SMILESO=C1CCCc2cnc(SCc3ccccc3)nc21
InChIInChI=1S/C15H14N2OS/c18-13-8-4-7-12-9-16-15(17-14(12)13)19-10-11-5-2-1-3-6-11/h1-3,5-6,9H,4,7-8,10H2
InChIKeyAZYZXHAWWJMPHT-UHFFFAOYSA-N
XLogP3.29
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-6,7-dihydro-5H-quinazolin-8-one?
The IUPAC name of 2-benzylsulfanyl-6,7-dihydro-5H-quinazolin-8-one (CID 57444113) is 2-benzylsulfanyl-6,7-dihydro-5H-quinazolin-8-one.
What is the SMILES notation for 2-benzylsulfanyl-6,7-dihydro-5H-quinazolin-8-one?
The canonical SMILES for 2-benzylsulfanyl-6,7-dihydro-5H-quinazolin-8-one is O=C1CCCc2cnc(SCc3ccccc3)nc21.
What is the InChIKey of 2-benzylsulfanyl-6,7-dihydro-5H-quinazolin-8-one?
The InChIKey is AZYZXHAWWJMPHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2OS/c18-13-8-4-7-12-9-16-15(17-14(12)13)19-10-11-5-2-1-3-6-11/h1-3,5-6,9H,4,7-8,10H2.
What are the key properties of 2-benzylsulfanyl-6,7-dihydro-5H-quinazolin-8-one?
2-benzylsulfanyl-6,7-dihydro-5H-quinazolin-8-one has a molecular weight of 270.36 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-6,7-dihydro-5H-quinazolin-8-one is sourced from PubChem (CID 57444113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).