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

C14H11N3O3 — CID 11558075

IUPAC5-amino-7-hydroxy-3-(4-hydroxyphenyl)quinazolin-4-one
SMILESNc1cc(O)cc2ncn(-c3ccc(O)cc3)c(=O)c12
InChIInChI=1S/C14H11N3O3/c15-11-5-10(19)6-12-13(11)14(20)17(7-16-12)8-1-3-9(18)4-2-8/h1-7,18-19H,15H2
InChIKeyOGCUEJPUMKMXND-UHFFFAOYSA-N
MW269.26 g/mol
LogP1.38
Rot. Bonds1

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

5-amino-7-hydroxy-3-(4-hydroxyphenyl)quinazolin-4-one (PubChem CID 11558075) has the molecular formula C14H11N3O3 and a molecular weight of 269.26 g/mol. Its IUPAC name is 5-amino-7-hydroxy-3-(4-hydroxyphenyl)quinazolin-4-one.

Molecular Properties

Compound Name5-amino-7-hydroxy-3-(4-hydroxyphenyl)quinazolin-4-one
PubChem CID11558075
Molecular FormulaC14H11N3O3
Molecular Weight269.26 g/mol
Exact Mass269.08
IUPAC Name5-amino-7-hydroxy-3-(4-hydroxyphenyl)quinazolin-4-one
SMILESNc1cc(O)cc2ncn(-c3ccc(O)cc3)c(=O)c12
InChIInChI=1S/C14H11N3O3/c15-11-5-10(19)6-12-13(11)14(20)17(7-16-12)8-1-3-9(18)4-2-8/h1-7,18-19H,15H2
InChIKeyOGCUEJPUMKMXND-UHFFFAOYSA-N
XLogP1.38
TPSA101.37 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-7-hydroxy-3-(4-hydroxyphenyl)quinazolin-4-one?
The IUPAC name of 5-amino-7-hydroxy-3-(4-hydroxyphenyl)quinazolin-4-one (CID 11558075) is 5-amino-7-hydroxy-3-(4-hydroxyphenyl)quinazolin-4-one.
What is the SMILES notation for 5-amino-7-hydroxy-3-(4-hydroxyphenyl)quinazolin-4-one?
The canonical SMILES for 5-amino-7-hydroxy-3-(4-hydroxyphenyl)quinazolin-4-one is Nc1cc(O)cc2ncn(-c3ccc(O)cc3)c(=O)c12.
What is the InChIKey of 5-amino-7-hydroxy-3-(4-hydroxyphenyl)quinazolin-4-one?
The InChIKey is OGCUEJPUMKMXND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O3/c15-11-5-10(19)6-12-13(11)14(20)17(7-16-12)8-1-3-9(18)4-2-8/h1-7,18-19H,15H2.
What are the key properties of 5-amino-7-hydroxy-3-(4-hydroxyphenyl)quinazolin-4-one?
5-amino-7-hydroxy-3-(4-hydroxyphenyl)quinazolin-4-one has a molecular weight of 269.26 g/mol, XLogP of 1.38, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-7-hydroxy-3-(4-hydroxyphenyl)quinazolin-4-one is sourced from PubChem (CID 11558075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).