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

C15H12N2O2 — CID 135436005

IUPAC2-(2-methoxyphenyl)-3H-quinazolin-4-one
SMILESCOc1ccccc1-c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C15H12N2O2/c1-19-13-9-5-3-7-11(13)14-16-12-8-4-2-6-10(12)15(18)17-14/h2-9H,1H3,(H,16,17,18)
InChIKeyDWMWFLPOXYGDND-UHFFFAOYSA-N
MW252.27 g/mol
LogP2.60
Rot. Bonds2

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

2-(2-methoxyphenyl)-3H-quinazolin-4-one (PubChem CID 135436005) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-3H-quinazolin-4-one
PubChem CID135436005
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC Name2-(2-methoxyphenyl)-3H-quinazolin-4-one
SMILESCOc1ccccc1-c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C15H12N2O2/c1-19-13-9-5-3-7-11(13)14-16-12-8-4-2-6-10(12)15(18)17-14/h2-9H,1H3,(H,16,17,18)
InChIKeyDWMWFLPOXYGDND-UHFFFAOYSA-N
XLogP2.60
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-3H-quinazolin-4-one?
The IUPAC name of 2-(2-methoxyphenyl)-3H-quinazolin-4-one (CID 135436005) is 2-(2-methoxyphenyl)-3H-quinazolin-4-one.
What is the SMILES notation for 2-(2-methoxyphenyl)-3H-quinazolin-4-one?
The canonical SMILES for 2-(2-methoxyphenyl)-3H-quinazolin-4-one is COc1ccccc1-c1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of 2-(2-methoxyphenyl)-3H-quinazolin-4-one?
The InChIKey is DWMWFLPOXYGDND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2/c1-19-13-9-5-3-7-11(13)14-16-12-8-4-2-6-10(12)15(18)17-14/h2-9H,1H3,(H,16,17,18).
What are the key properties of 2-(2-methoxyphenyl)-3H-quinazolin-4-one?
2-(2-methoxyphenyl)-3H-quinazolin-4-one has a molecular weight of 252.27 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-3H-quinazolin-4-one is sourced from PubChem (CID 135436005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).