5,7-dihydroxy-3-(4-hydroxyphenyl)quinazolin-4-one

C14H10N2O4 — CID 10423234

IUPAC5,7-dihydroxy-3-(4-hydroxyphenyl)quinazolin-4-one
SMILESO=c1c2c(O)cc(O)cc2ncn1-c1ccc(O)cc1
InChIInChI=1S/C14H10N2O4/c17-9-3-1-8(2-4-9)16-7-15-11-5-10(18)6-12(19)13(11)14(16)20/h1-7,17-19H
InChIKeyVIZPQPBPYLOQMH-UHFFFAOYSA-N
MW270.24 g/mol
LogP1.50
Rot. Bonds1

About 5,7-dihydroxy-3-(4-hydroxyphenyl)quinazolin-4-one

5,7-dihydroxy-3-(4-hydroxyphenyl)quinazolin-4-one (PubChem CID 10423234) has the molecular formula C14H10N2O4 and a molecular weight of 270.24 g/mol. Its IUPAC name is 5,7-dihydroxy-3-(4-hydroxyphenyl)quinazolin-4-one.

Molecular Properties

Compound Name5,7-dihydroxy-3-(4-hydroxyphenyl)quinazolin-4-one
PubChem CID10423234
Molecular FormulaC14H10N2O4
Molecular Weight270.24 g/mol
Exact Mass270.06
IUPAC Name5,7-dihydroxy-3-(4-hydroxyphenyl)quinazolin-4-one
SMILESO=c1c2c(O)cc(O)cc2ncn1-c1ccc(O)cc1
InChIInChI=1S/C14H10N2O4/c17-9-3-1-8(2-4-9)16-7-15-11-5-10(18)6-12(19)13(11)14(16)20/h1-7,17-19H
InChIKeyVIZPQPBPYLOQMH-UHFFFAOYSA-N
XLogP1.50
TPSA95.58 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.24
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2-Fluoro-4-hydroxyphenyl)-5,7-dihydroxy-3,4-dihydroquinazolin-4-one
CID 10016946
5,7-Dihydroxy-3-(4-hydroxy-2-methylphenyl)-3,4-dihydroquinazolin-4-one
CID 10334049
5,7-Dihydroxy-3-(4-hydroxyphenyl)-2-sulfanyl-3,4-dihydroquinazolin-4-one
CID 11493187
5-Ethenyl-7-hydroxy-3-(4-hydroxyphenyl)-3,4-dihydroquinazolin-4-one
CID 11543706
5-Ethyl-7-hydroxy-3-(4-hydroxyphenyl)-3,4-dihydroquinazolin-4-one
CID 11558237
7-Hydroxy-3-(4-hydroxyphenyl)-5-methyl-3,4-dihydroquinazolin-4-one
CID 11565235
7-Hydroxy-3-(4-hydroxyphenyl)-3,4-dihydroquinazolin-4-one
CID 11579721
7-Hydroxy-3-(4-hydroxyphenyl)-5-(prop-1-en-2-yl)-3,4-dihydroquinazolin-4-one
CID 11637913
7-Hydroxy-5-(hydroxymethyl)-3-(4-hydroxyphenyl)-3,4-dihydroquinazolin-4-one
CID 11644885
3-(3-Fluoro-4-hydroxyphenyl)-5,7-dihydroxy-3,4-dihydroquinazolin-4-one
CID 11659260
3-(2-Chloro-4-hydroxyphenyl)-5,7-dihydroxy-3,4-dihydroquinazolin-4-one
CID 11666644
2-Butyl-5,7-dihydroxy-3-(4-hydroxyphenyl)-3,4-dihydroquinazolin-4-one
CID 11681405

Frequently Asked Questions

What is the IUPAC name of 5,7-dihydroxy-3-(4-hydroxyphenyl)quinazolin-4-one?
The IUPAC name of 5,7-dihydroxy-3-(4-hydroxyphenyl)quinazolin-4-one (CID 10423234) is 5,7-dihydroxy-3-(4-hydroxyphenyl)quinazolin-4-one.
What is the SMILES notation for 5,7-dihydroxy-3-(4-hydroxyphenyl)quinazolin-4-one?
The canonical SMILES for 5,7-dihydroxy-3-(4-hydroxyphenyl)quinazolin-4-one is O=c1c2c(O)cc(O)cc2ncn1-c1ccc(O)cc1.
What is the InChIKey of 5,7-dihydroxy-3-(4-hydroxyphenyl)quinazolin-4-one?
The InChIKey is VIZPQPBPYLOQMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O4/c17-9-3-1-8(2-4-9)16-7-15-11-5-10(18)6-12(19)13(11)14(16)20/h1-7,17-19H.
What are the key properties of 5,7-dihydroxy-3-(4-hydroxyphenyl)quinazolin-4-one?
5,7-dihydroxy-3-(4-hydroxyphenyl)quinazolin-4-one has a molecular weight of 270.24 g/mol, XLogP of 1.50, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dihydroxy-3-(4-hydroxyphenyl)quinazolin-4-one is sourced from PubChem (CID 10423234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).