6-hydroxy-3-phenyl-2-prop-2-enylsulfanylquinazolin-4-one

C17H14N2O2S — CID 177325805

IUPAC6-hydroxy-3-phenyl-2-prop-2-enylsulfanylquinazolin-4-one
SMILESC=CCSc1nc2ccc(O)cc2c(=O)n1-c1ccccc1
InChIInChI=1S/C17H14N2O2S/c1-2-10-22-17-18-15-9-8-13(20)11-14(15)16(21)19(17)12-6-4-3-5-7-12/h2-9,11,20H,1,10H2
InChIKeySQIIMDCNRGRGDN-UHFFFAOYSA-N
MW310.38 g/mol
LogP3.37
Rot. Bonds4

About 6-hydroxy-3-phenyl-2-prop-2-enylsulfanylquinazolin-4-one

6-hydroxy-3-phenyl-2-prop-2-enylsulfanylquinazolin-4-one (PubChem CID 177325805) has the molecular formula C17H14N2O2S and a molecular weight of 310.38 g/mol. Its IUPAC name is 6-hydroxy-3-phenyl-2-prop-2-enylsulfanylquinazolin-4-one.

Molecular Properties

Compound Name6-hydroxy-3-phenyl-2-prop-2-enylsulfanylquinazolin-4-one
PubChem CID177325805
Molecular FormulaC17H14N2O2S
Molecular Weight310.38 g/mol
Exact Mass310.08
IUPAC Name6-hydroxy-3-phenyl-2-prop-2-enylsulfanylquinazolin-4-one
SMILESC=CCSc1nc2ccc(O)cc2c(=O)n1-c1ccccc1
InChIInChI=1S/C17H14N2O2S/c1-2-10-22-17-18-15-9-8-13(20)11-14(15)16(21)19(17)12-6-4-3-5-7-12/h2-9,11,20H,1,10H2
InChIKeySQIIMDCNRGRGDN-UHFFFAOYSA-N
XLogP3.37
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-(4-chlorophenyl)-2-prop-2-enylsulfanylquinazolin-4-one
CID 8007787
6-bromo-2-prop-2-enylsulfanyl-3-pyridin-3-ylquinazolin-4-one
CID 177325708
3-methyl-2-prop-2-enylsulfanylquinazolin-4-one
CID 2138889
2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide
CID 680931
2-[(3,5-dimethylphenyl)methylsulfanyl]-3-phenylquinazolin-4-one
CID 18225738
2-[(2E)-3,7-dimethylocta-2,6-dienyl]sulfanyl-3-phenylquinazolin-4-one
CID 14575154
6-iodo-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-3-phenylquinazolin-4-one
CID 1257455
2-[(Z)-3-chlorobut-2-enyl]sulfanyl-3-(4-methylphenyl)quinazolin-4-one
CID 1418230
2-(6-bromo-4-oxo-3-phenylquinazolin-2-yl)sulfanyl-N-methylacetamide
CID 7876762
2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N,N-bis(prop-2-enyl)acetamide
CID 4809917
S-(4-oxo-3-phenylquinazolin-2-yl) benzenecarbothioate
CID 134092715
2-[(4-ethenylphenyl)methylsulfanyl]-3-(4-fluorophenyl)quinazolin-4-one
CID 51365616

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-3-phenyl-2-prop-2-enylsulfanylquinazolin-4-one?
The IUPAC name of 6-hydroxy-3-phenyl-2-prop-2-enylsulfanylquinazolin-4-one (CID 177325805) is 6-hydroxy-3-phenyl-2-prop-2-enylsulfanylquinazolin-4-one.
What is the SMILES notation for 6-hydroxy-3-phenyl-2-prop-2-enylsulfanylquinazolin-4-one?
The canonical SMILES for 6-hydroxy-3-phenyl-2-prop-2-enylsulfanylquinazolin-4-one is C=CCSc1nc2ccc(O)cc2c(=O)n1-c1ccccc1.
What is the InChIKey of 6-hydroxy-3-phenyl-2-prop-2-enylsulfanylquinazolin-4-one?
The InChIKey is SQIIMDCNRGRGDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2S/c1-2-10-22-17-18-15-9-8-13(20)11-14(15)16(21)19(17)12-6-4-3-5-7-12/h2-9,11,20H,1,10H2.
What are the key properties of 6-hydroxy-3-phenyl-2-prop-2-enylsulfanylquinazolin-4-one?
6-hydroxy-3-phenyl-2-prop-2-enylsulfanylquinazolin-4-one has a molecular weight of 310.38 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-3-phenyl-2-prop-2-enylsulfanylquinazolin-4-one is sourced from PubChem (CID 177325805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).