5-ethenyl-7-hydroxy-3-(4-hydroxyphenyl)quinazolin-4-one

C16H12N2O3 — CID 11543706

IUPAC5-ethenyl-7-hydroxy-3-(4-hydroxyphenyl)quinazolin-4-one
SMILESC=Cc1cc(O)cc2ncn(-c3ccc(O)cc3)c(=O)c12
InChIInChI=1S/C16H12N2O3/c1-2-10-7-13(20)8-14-15(10)16(21)18(9-17-14)11-3-5-12(19)6-4-11/h2-9,19-20H,1H2
InChIKeyVHNLCUIJIAOHJY-UHFFFAOYSA-N
MW280.28 g/mol
LogP2.44
Rot. Bonds2

About 5-ethenyl-7-hydroxy-3-(4-hydroxyphenyl)quinazolin-4-one

5-ethenyl-7-hydroxy-3-(4-hydroxyphenyl)quinazolin-4-one (PubChem CID 11543706) has the molecular formula C16H12N2O3 and a molecular weight of 280.28 g/mol. Its IUPAC name is 5-ethenyl-7-hydroxy-3-(4-hydroxyphenyl)quinazolin-4-one.

Molecular Properties

Compound Name5-ethenyl-7-hydroxy-3-(4-hydroxyphenyl)quinazolin-4-one
PubChem CID11543706
Molecular FormulaC16H12N2O3
Molecular Weight280.28 g/mol
Exact Mass280.08
IUPAC Name5-ethenyl-7-hydroxy-3-(4-hydroxyphenyl)quinazolin-4-one
SMILESC=Cc1cc(O)cc2ncn(-c3ccc(O)cc3)c(=O)c12
InChIInChI=1S/C16H12N2O3/c1-2-10-7-13(20)8-14-15(10)16(21)18(9-17-14)11-3-5-12(19)6-4-11/h2-9,19-20H,1H2
InChIKeyVHNLCUIJIAOHJY-UHFFFAOYSA-N
XLogP2.44
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-7-hydroxy-3-(4-hydroxyphenyl)quinazolin-4-one?
The IUPAC name of 5-ethenyl-7-hydroxy-3-(4-hydroxyphenyl)quinazolin-4-one (CID 11543706) is 5-ethenyl-7-hydroxy-3-(4-hydroxyphenyl)quinazolin-4-one.
What is the SMILES notation for 5-ethenyl-7-hydroxy-3-(4-hydroxyphenyl)quinazolin-4-one?
The canonical SMILES for 5-ethenyl-7-hydroxy-3-(4-hydroxyphenyl)quinazolin-4-one is C=Cc1cc(O)cc2ncn(-c3ccc(O)cc3)c(=O)c12.
What is the InChIKey of 5-ethenyl-7-hydroxy-3-(4-hydroxyphenyl)quinazolin-4-one?
The InChIKey is VHNLCUIJIAOHJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O3/c1-2-10-7-13(20)8-14-15(10)16(21)18(9-17-14)11-3-5-12(19)6-4-11/h2-9,19-20H,1H2.
What are the key properties of 5-ethenyl-7-hydroxy-3-(4-hydroxyphenyl)quinazolin-4-one?
5-ethenyl-7-hydroxy-3-(4-hydroxyphenyl)quinazolin-4-one has a molecular weight of 280.28 g/mol, XLogP of 2.44, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-7-hydroxy-3-(4-hydroxyphenyl)quinazolin-4-one is sourced from PubChem (CID 11543706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).