8-hydroxy-2-(4-hydroxyphenyl)-3H-quinazolin-4-one

C14H10N2O3 — CID 135513650

IUPAC8-hydroxy-2-(4-hydroxyphenyl)-3H-quinazolin-4-one
SMILESO=c1[nH]c(-c2ccc(O)cc2)nc2c(O)cccc12
InChIInChI=1S/C14H10N2O3/c17-9-6-4-8(5-7-9)13-15-12-10(14(19)16-13)2-1-3-11(12)18/h1-7,17-18H,(H,15,16,19)
InChIKeyKZLPIRPQDKFMRG-UHFFFAOYSA-N
MW254.25 g/mol
LogP2.00
Rot. Bonds1

About 8-hydroxy-2-(4-hydroxyphenyl)-3H-quinazolin-4-one

8-hydroxy-2-(4-hydroxyphenyl)-3H-quinazolin-4-one (PubChem CID 135513650) has the molecular formula C14H10N2O3 and a molecular weight of 254.25 g/mol. Its IUPAC name is 8-hydroxy-2-(4-hydroxyphenyl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name8-hydroxy-2-(4-hydroxyphenyl)-3H-quinazolin-4-one
PubChem CID135513650
Molecular FormulaC14H10N2O3
Molecular Weight254.25 g/mol
Exact Mass254.07
IUPAC Name8-hydroxy-2-(4-hydroxyphenyl)-3H-quinazolin-4-one
SMILESO=c1[nH]c(-c2ccc(O)cc2)nc2c(O)cccc12
InChIInChI=1S/C14H10N2O3/c17-9-6-4-8(5-7-9)13-15-12-10(14(19)16-13)2-1-3-11(12)18/h1-7,17-18H,(H,15,16,19)
InChIKeyKZLPIRPQDKFMRG-UHFFFAOYSA-N
XLogP2.00
TPSA86.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-2-(4-hydroxyphenyl)-3H-quinazolin-4-one?
The IUPAC name of 8-hydroxy-2-(4-hydroxyphenyl)-3H-quinazolin-4-one (CID 135513650) is 8-hydroxy-2-(4-hydroxyphenyl)-3H-quinazolin-4-one.
What is the SMILES notation for 8-hydroxy-2-(4-hydroxyphenyl)-3H-quinazolin-4-one?
The canonical SMILES for 8-hydroxy-2-(4-hydroxyphenyl)-3H-quinazolin-4-one is O=c1[nH]c(-c2ccc(O)cc2)nc2c(O)cccc12.
What is the InChIKey of 8-hydroxy-2-(4-hydroxyphenyl)-3H-quinazolin-4-one?
The InChIKey is KZLPIRPQDKFMRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O3/c17-9-6-4-8(5-7-9)13-15-12-10(14(19)16-13)2-1-3-11(12)18/h1-7,17-18H,(H,15,16,19).
What are the key properties of 8-hydroxy-2-(4-hydroxyphenyl)-3H-quinazolin-4-one?
8-hydroxy-2-(4-hydroxyphenyl)-3H-quinazolin-4-one has a molecular weight of 254.25 g/mol, XLogP of 2.00, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-2-(4-hydroxyphenyl)-3H-quinazolin-4-one is sourced from PubChem (CID 135513650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).