2-(3,5-dihydroxyphenyl)-6-hydroxy-3H-quinazolin-4-one

C14H10N2O4 — CID 135999629

IUPAC2-(3,5-dihydroxyphenyl)-6-hydroxy-3H-quinazolin-4-one
SMILESO=c1[nH]c(-c2cc(O)cc(O)c2)nc2ccc(O)cc12
InChIInChI=1S/C14H10N2O4/c17-8-1-2-12-11(6-8)14(20)16-13(15-12)7-3-9(18)5-10(19)4-7/h1-6,17-19H,(H,15,16,20)
InChIKeyXUOJPKZACZZZOI-UHFFFAOYSA-N
MW270.24 g/mol
LogP1.71
Rot. Bonds1

About 2-(3,5-dihydroxyphenyl)-6-hydroxy-3H-quinazolin-4-one

2-(3,5-dihydroxyphenyl)-6-hydroxy-3H-quinazolin-4-one (PubChem CID 135999629) has the molecular formula C14H10N2O4 and a molecular weight of 270.24 g/mol. Its IUPAC name is 2-(3,5-dihydroxyphenyl)-6-hydroxy-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(3,5-dihydroxyphenyl)-6-hydroxy-3H-quinazolin-4-one
PubChem CID135999629
Molecular FormulaC14H10N2O4
Molecular Weight270.24 g/mol
Exact Mass270.06
IUPAC Name2-(3,5-dihydroxyphenyl)-6-hydroxy-3H-quinazolin-4-one
SMILESO=c1[nH]c(-c2cc(O)cc(O)c2)nc2ccc(O)cc12
InChIInChI=1S/C14H10N2O4/c17-8-1-2-12-11(6-8)14(20)16-13(15-12)7-3-9(18)5-10(19)4-7/h1-6,17-19H,(H,15,16,20)
InChIKeyXUOJPKZACZZZOI-UHFFFAOYSA-N
XLogP1.71
TPSA106.44 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.24
LogP ≤ 51.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-acetylphenyl)-6-hydroxy-3H-quinazolin-4-one
CID 135999605
actinium;6-hydroxy-2-(3-methylphenyl)-3H-quinazolin-4-one
CID 135999600
6-chloro-2-(3-fluoro-5-hydroxyphenyl)-3H-quinazolin-4-one
CID 167985488
2-(4-hydroxyphenyl)-6-(125I)iodo-3H-quinazolin-4-one
CID 135541903
6-hydroxy-2-(5-nitrothiophen-3-yl)-3H-quinazolin-4-one
CID 135796482
6,7-dihydroxy-2-phenyl-3H-quinazolin-4-one
CID 137014833
6-hydroxy-2-thieno[3,2-c]pyridin-6-yl-3H-quinazolin-4-one
CID 146333407
2-(3,5-dichlorophenyl)-3H-quinazolin-4-one
CID 168550718
6-fluoro-2-phenyl-3H-quinazolin-4-one
CID 135741351
2-(6-hydroxy-4-oxo-3H-quinazolin-2-yl)acetonitrile
CID 137182260
6-acetyl-2-phenyl-3H-quinazolin-4-one
CID 137082893
2-(4-oxo-3H-quinazolin-2-yl)-3H-quinazolin-4-one
CID 135465251

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dihydroxyphenyl)-6-hydroxy-3H-quinazolin-4-one?
The IUPAC name of 2-(3,5-dihydroxyphenyl)-6-hydroxy-3H-quinazolin-4-one (CID 135999629) is 2-(3,5-dihydroxyphenyl)-6-hydroxy-3H-quinazolin-4-one.
What is the SMILES notation for 2-(3,5-dihydroxyphenyl)-6-hydroxy-3H-quinazolin-4-one?
The canonical SMILES for 2-(3,5-dihydroxyphenyl)-6-hydroxy-3H-quinazolin-4-one is O=c1[nH]c(-c2cc(O)cc(O)c2)nc2ccc(O)cc12.
What is the InChIKey of 2-(3,5-dihydroxyphenyl)-6-hydroxy-3H-quinazolin-4-one?
The InChIKey is XUOJPKZACZZZOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O4/c17-8-1-2-12-11(6-8)14(20)16-13(15-12)7-3-9(18)5-10(19)4-7/h1-6,17-19H,(H,15,16,20).
What are the key properties of 2-(3,5-dihydroxyphenyl)-6-hydroxy-3H-quinazolin-4-one?
2-(3,5-dihydroxyphenyl)-6-hydroxy-3H-quinazolin-4-one has a molecular weight of 270.24 g/mol, XLogP of 1.71, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dihydroxyphenyl)-6-hydroxy-3H-quinazolin-4-one is sourced from PubChem (CID 135999629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).