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

C16H14N2O2 — CID 142746798

IUPAC2-(4-hydroxy-3,5-dimethylphenyl)-3H-quinazolin-4-one
SMILESCc1cc(-c2nc3ccccc3c(=O)[nH]2)cc(C)c1O
InChIInChI=1S/C16H14N2O2/c1-9-7-11(8-10(2)14(9)19)15-17-13-6-4-3-5-12(13)16(20)18-15/h3-8,19H,1-2H3,(H,17,18,20)
InChIKeyPNEAZXMMTNBIOB-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.91
Rot. Bonds1

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

2-(4-hydroxy-3,5-dimethylphenyl)-3H-quinazolin-4-one (PubChem CID 142746798) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-(4-hydroxy-3,5-dimethylphenyl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(4-hydroxy-3,5-dimethylphenyl)-3H-quinazolin-4-one
PubChem CID142746798
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name2-(4-hydroxy-3,5-dimethylphenyl)-3H-quinazolin-4-one
SMILESCc1cc(-c2nc3ccccc3c(=O)[nH]2)cc(C)c1O
InChIInChI=1S/C16H14N2O2/c1-9-7-11(8-10(2)14(9)19)15-17-13-6-4-3-5-12(13)16(20)18-15/h3-8,19H,1-2H3,(H,17,18,20)
InChIKeyPNEAZXMMTNBIOB-UHFFFAOYSA-N
XLogP2.91
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-3,5-dimethylphenyl)-3H-quinazolin-4-one?
The IUPAC name of 2-(4-hydroxy-3,5-dimethylphenyl)-3H-quinazolin-4-one (CID 142746798) is 2-(4-hydroxy-3,5-dimethylphenyl)-3H-quinazolin-4-one.
What is the SMILES notation for 2-(4-hydroxy-3,5-dimethylphenyl)-3H-quinazolin-4-one?
The canonical SMILES for 2-(4-hydroxy-3,5-dimethylphenyl)-3H-quinazolin-4-one is Cc1cc(-c2nc3ccccc3c(=O)[nH]2)cc(C)c1O.
What is the InChIKey of 2-(4-hydroxy-3,5-dimethylphenyl)-3H-quinazolin-4-one?
The InChIKey is PNEAZXMMTNBIOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-9-7-11(8-10(2)14(9)19)15-17-13-6-4-3-5-12(13)16(20)18-15/h3-8,19H,1-2H3,(H,17,18,20).
What are the key properties of 2-(4-hydroxy-3,5-dimethylphenyl)-3H-quinazolin-4-one?
2-(4-hydroxy-3,5-dimethylphenyl)-3H-quinazolin-4-one has a molecular weight of 266.30 g/mol, XLogP of 2.91, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-3,5-dimethylphenyl)-3H-quinazolin-4-one is sourced from PubChem (CID 142746798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).