7-hydroxy-3-(4-hydroxyphenyl)-5-methoxyquinazolin-4-one

C15H12N2O4 — CID 10356502

IUPAC7-hydroxy-3-(4-hydroxyphenyl)-5-methoxyquinazolin-4-one
SMILESCOc1cc(O)cc2ncn(-c3ccc(O)cc3)c(=O)c12
InChIInChI=1S/C15H12N2O4/c1-21-13-7-11(19)6-12-14(13)15(20)17(8-16-12)9-2-4-10(18)5-3-9/h2-8,18-19H,1H3
InChIKeyVHZMSDGAAMARIU-UHFFFAOYSA-N
MW284.27 g/mol
LogP1.81
Rot. Bonds2

About 7-hydroxy-3-(4-hydroxyphenyl)-5-methoxyquinazolin-4-one

7-hydroxy-3-(4-hydroxyphenyl)-5-methoxyquinazolin-4-one (PubChem CID 10356502) has the molecular formula C15H12N2O4 and a molecular weight of 284.27 g/mol. Its IUPAC name is 7-hydroxy-3-(4-hydroxyphenyl)-5-methoxyquinazolin-4-one.

Molecular Properties

Compound Name7-hydroxy-3-(4-hydroxyphenyl)-5-methoxyquinazolin-4-one
PubChem CID10356502
Molecular FormulaC15H12N2O4
Molecular Weight284.27 g/mol
Exact Mass284.08
IUPAC Name7-hydroxy-3-(4-hydroxyphenyl)-5-methoxyquinazolin-4-one
SMILESCOc1cc(O)cc2ncn(-c3ccc(O)cc3)c(=O)c12
InChIInChI=1S/C15H12N2O4/c1-21-13-7-11(19)6-12-14(13)15(20)17(8-16-12)9-2-4-10(18)5-3-9/h2-8,18-19H,1H3
InChIKeyVHZMSDGAAMARIU-UHFFFAOYSA-N
XLogP1.81
TPSA84.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-Hydroxy-3-methoxy-10-methylacridone
CID 5377412
Pummeline
CID 10468408
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)-4(3H)-quinazolinone
CID 10423234
7-Hydroxy-3-(4-hydroxyphenyl)-3,4-dihydroquinazolin-4-one
CID 11579721
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
2-(4-hydroxy-3,5-dimethylphenyl)-5,7-dimethoxyquinazolin-4(3H)-one
CID 135566881
5,7-Dihydroxy-3-(4-hydroxyphenyl)-8-iodo-3,4-dihydroquinazolin-4-one
CID 11610940
5,7-Dihydroxy-3-(3-hydroxyphenyl)-3,4-dihydroquinazolin-4-one
CID 11651922

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-3-(4-hydroxyphenyl)-5-methoxyquinazolin-4-one?
The IUPAC name of 7-hydroxy-3-(4-hydroxyphenyl)-5-methoxyquinazolin-4-one (CID 10356502) is 7-hydroxy-3-(4-hydroxyphenyl)-5-methoxyquinazolin-4-one.
What is the SMILES notation for 7-hydroxy-3-(4-hydroxyphenyl)-5-methoxyquinazolin-4-one?
The canonical SMILES for 7-hydroxy-3-(4-hydroxyphenyl)-5-methoxyquinazolin-4-one is COc1cc(O)cc2ncn(-c3ccc(O)cc3)c(=O)c12.
What is the InChIKey of 7-hydroxy-3-(4-hydroxyphenyl)-5-methoxyquinazolin-4-one?
The InChIKey is VHZMSDGAAMARIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O4/c1-21-13-7-11(19)6-12-14(13)15(20)17(8-16-12)9-2-4-10(18)5-3-9/h2-8,18-19H,1H3.
What are the key properties of 7-hydroxy-3-(4-hydroxyphenyl)-5-methoxyquinazolin-4-one?
7-hydroxy-3-(4-hydroxyphenyl)-5-methoxyquinazolin-4-one has a molecular weight of 284.27 g/mol, XLogP of 1.81, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-3-(4-hydroxyphenyl)-5-methoxyquinazolin-4-one is sourced from PubChem (CID 10356502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).