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

C15H12N2O4 — CID 10379126

IUPAC5-hydroxy-3-(4-hydroxyphenyl)-7-methoxyquinazolin-4-one
SMILESCOc1cc(O)c2c(=O)n(-c3ccc(O)cc3)cnc2c1
InChIInChI=1S/C15H12N2O4/c1-21-11-6-12-14(13(19)7-11)15(20)17(8-16-12)9-2-4-10(18)5-3-9/h2-8,18-19H,1H3
InChIKeyQAYMSXNVKFSOST-UHFFFAOYSA-N
MW284.27 g/mol
LogP1.81
Rot. Bonds2

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

5-hydroxy-3-(4-hydroxyphenyl)-7-methoxyquinazolin-4-one (PubChem CID 10379126) has the molecular formula C15H12N2O4 and a molecular weight of 284.27 g/mol. Its IUPAC name is 5-hydroxy-3-(4-hydroxyphenyl)-7-methoxyquinazolin-4-one.

Molecular Properties

Compound Name5-hydroxy-3-(4-hydroxyphenyl)-7-methoxyquinazolin-4-one
PubChem CID10379126
Molecular FormulaC15H12N2O4
Molecular Weight284.27 g/mol
Exact Mass284.08
IUPAC Name5-hydroxy-3-(4-hydroxyphenyl)-7-methoxyquinazolin-4-one
SMILESCOc1cc(O)c2c(=O)n(-c3ccc(O)cc3)cnc2c1
InChIInChI=1S/C15H12N2O4/c1-21-11-6-12-14(13(19)7-11)15(20)17(8-16-12)9-2-4-10(18)5-3-9/h2-8,18-19H,1H3
InChIKeyQAYMSXNVKFSOST-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

methyl 7-methoxy-3-(4-methoxyphenyl)-4-oxoquinazoline-5-carboxylate
CID 11602536
5-hydroxy-6-iodo-7-methoxy-3-(4-methoxyphenyl)quinazolin-4-one
CID 11510099
4-bromo-8-hydroxy-2-(4-hydroxyphenyl)-6-methoxyisoquinolin-1-one
CID 24962207
5,7-dimethoxy-3-(6-methoxy-3-pyridinyl)quinazolin-4-one
CID 59116477
7-hydroxy-5-(hydroxymethyl)-3-(4-hydroxyphenyl)quinazolin-4-one
CID 11644885
5-(bromomethyl)-7-hydroxy-3-(4-hydroxyphenyl)quinazolin-4-one
CID 11508494
6-methoxy-3-(4-methoxyphenyl)quinazolin-4-one
CID 127038187
6,7-dimethoxy-3-(4-methoxyphenyl)quinazolin-4-one
CID 118722445
5-ethyl-7-hydroxy-3-(4-methylphenyl)quinazolin-4-one
CID 59837928
ethyl 3-[[3-(4-hydroxyphenyl)-4-oxoquinazolin-7-yl]oxymethyl]-2-methylbenzoate
CID 140529940
5-bromo-6-cyclopropyl-3-(4-methoxyphenyl)pyrimidin-4-one
CID 165478529
3-(4-methoxyphenyl)-N-(2-methylpropyl)-4-oxoquinazoline-7-carboxamide
CID 39314202

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-3-(4-hydroxyphenyl)-7-methoxyquinazolin-4-one?
The IUPAC name of 5-hydroxy-3-(4-hydroxyphenyl)-7-methoxyquinazolin-4-one (CID 10379126) is 5-hydroxy-3-(4-hydroxyphenyl)-7-methoxyquinazolin-4-one.
What is the SMILES notation for 5-hydroxy-3-(4-hydroxyphenyl)-7-methoxyquinazolin-4-one?
The canonical SMILES for 5-hydroxy-3-(4-hydroxyphenyl)-7-methoxyquinazolin-4-one is COc1cc(O)c2c(=O)n(-c3ccc(O)cc3)cnc2c1.
What is the InChIKey of 5-hydroxy-3-(4-hydroxyphenyl)-7-methoxyquinazolin-4-one?
The InChIKey is QAYMSXNVKFSOST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O4/c1-21-11-6-12-14(13(19)7-11)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 5-hydroxy-3-(4-hydroxyphenyl)-7-methoxyquinazolin-4-one?
5-hydroxy-3-(4-hydroxyphenyl)-7-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 5-hydroxy-3-(4-hydroxyphenyl)-7-methoxyquinazolin-4-one is sourced from PubChem (CID 10379126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).