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

C14H10N2O2 — CID 135405744

IUPAC2-(4-hydroxyphenyl)-3H-quinazolin-4-one
SMILESO=c1[nH]c(-c2ccc(O)cc2)nc2ccccc12
InChIInChI=1S/C14H10N2O2/c17-10-7-5-9(6-8-10)13-15-12-4-2-1-3-11(12)14(18)16-13/h1-8,17H,(H,15,16,18)
InChIKeyHMZVOPJPTNTGGO-UHFFFAOYSA-N
MW238.25 g/mol
LogP2.30
Rot. Bonds1

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

2-(4-hydroxyphenyl)-3H-quinazolin-4-one (PubChem CID 135405744) has the molecular formula C14H10N2O2 and a molecular weight of 238.25 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)-3H-quinazolin-4-one
PubChem CID135405744
Molecular FormulaC14H10N2O2
Molecular Weight238.25 g/mol
Exact Mass238.07
IUPAC Name2-(4-hydroxyphenyl)-3H-quinazolin-4-one
SMILESO=c1[nH]c(-c2ccc(O)cc2)nc2ccccc12
InChIInChI=1S/C14H10N2O2/c17-10-7-5-9(6-8-10)13-15-12-4-2-1-3-11(12)14(18)16-13/h1-8,17H,(H,15,16,18)
InChIKeyHMZVOPJPTNTGGO-UHFFFAOYSA-N
XLogP2.30
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)-3H-quinazolin-4-one?
The IUPAC name of 2-(4-hydroxyphenyl)-3H-quinazolin-4-one (CID 135405744) is 2-(4-hydroxyphenyl)-3H-quinazolin-4-one.
What is the SMILES notation for 2-(4-hydroxyphenyl)-3H-quinazolin-4-one?
The canonical SMILES for 2-(4-hydroxyphenyl)-3H-quinazolin-4-one is O=c1[nH]c(-c2ccc(O)cc2)nc2ccccc12.
What is the InChIKey of 2-(4-hydroxyphenyl)-3H-quinazolin-4-one?
The InChIKey is HMZVOPJPTNTGGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O2/c17-10-7-5-9(6-8-10)13-15-12-4-2-1-3-11(12)14(18)16-13/h1-8,17H,(H,15,16,18).
What are the key properties of 2-(4-hydroxyphenyl)-3H-quinazolin-4-one?
2-(4-hydroxyphenyl)-3H-quinazolin-4-one has a molecular weight of 238.25 g/mol, XLogP of 2.30, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)-3H-quinazolin-4-one is sourced from PubChem (CID 135405744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).