2-(4-hydroxy-3,5-dimethylphenyl)-3-methylquinazolin-4-one

C17H16N2O2 — CID 155525696

IUPAC2-(4-hydroxy-3,5-dimethylphenyl)-3-methylquinazolin-4-one
SMILESCc1cc(-c2nc3ccccc3c(=O)n2C)cc(C)c1O
InChIInChI=1S/C17H16N2O2/c1-10-8-12(9-11(2)15(10)20)16-18-14-7-5-4-6-13(14)17(21)19(16)3/h4-9,20H,1-3H3
InChIKeyHUDXRQZXNDWWAI-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.92
Rot. Bonds1

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

2-(4-hydroxy-3,5-dimethylphenyl)-3-methylquinazolin-4-one (PubChem CID 155525696) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-(4-hydroxy-3,5-dimethylphenyl)-3-methylquinazolin-4-one.

Molecular Properties

Compound Name2-(4-hydroxy-3,5-dimethylphenyl)-3-methylquinazolin-4-one
PubChem CID155525696
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name2-(4-hydroxy-3,5-dimethylphenyl)-3-methylquinazolin-4-one
SMILESCc1cc(-c2nc3ccccc3c(=O)n2C)cc(C)c1O
InChIInChI=1S/C17H16N2O2/c1-10-8-12(9-11(2)15(10)20)16-18-14-7-5-4-6-13(14)17(21)19(16)3/h4-9,20H,1-3H3
InChIKeyHUDXRQZXNDWWAI-UHFFFAOYSA-N
XLogP2.92
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-3,5-dimethylphenyl)-3-methylquinazolin-4-one?
The IUPAC name of 2-(4-hydroxy-3,5-dimethylphenyl)-3-methylquinazolin-4-one (CID 155525696) is 2-(4-hydroxy-3,5-dimethylphenyl)-3-methylquinazolin-4-one.
What is the SMILES notation for 2-(4-hydroxy-3,5-dimethylphenyl)-3-methylquinazolin-4-one?
The canonical SMILES for 2-(4-hydroxy-3,5-dimethylphenyl)-3-methylquinazolin-4-one is Cc1cc(-c2nc3ccccc3c(=O)n2C)cc(C)c1O.
What is the InChIKey of 2-(4-hydroxy-3,5-dimethylphenyl)-3-methylquinazolin-4-one?
The InChIKey is HUDXRQZXNDWWAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-10-8-12(9-11(2)15(10)20)16-18-14-7-5-4-6-13(14)17(21)19(16)3/h4-9,20H,1-3H3.
What are the key properties of 2-(4-hydroxy-3,5-dimethylphenyl)-3-methylquinazolin-4-one?
2-(4-hydroxy-3,5-dimethylphenyl)-3-methylquinazolin-4-one has a molecular weight of 280.33 g/mol, XLogP of 2.92, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-3,5-dimethylphenyl)-3-methylquinazolin-4-one is sourced from PubChem (CID 155525696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).