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

C16H12N2O3 — CID 141483892

IUPAC2-(2-methoxybenzoyl)-3H-quinazolin-4-one
SMILESCOc1ccccc1C(=O)c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C16H12N2O3/c1-21-13-9-5-3-7-11(13)14(19)15-17-12-8-4-2-6-10(12)16(20)18-15/h2-9H,1H3,(H,17,18,20)
InChIKeyBQEHXTGALFZSRT-UHFFFAOYSA-N
MW280.28 g/mol
LogP2.16
Rot. Bonds3

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

2-(2-methoxybenzoyl)-3H-quinazolin-4-one (PubChem CID 141483892) has the molecular formula C16H12N2O3 and a molecular weight of 280.28 g/mol. Its IUPAC name is 2-(2-methoxybenzoyl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(2-methoxybenzoyl)-3H-quinazolin-4-one
PubChem CID141483892
Molecular FormulaC16H12N2O3
Molecular Weight280.28 g/mol
Exact Mass280.08
IUPAC Name2-(2-methoxybenzoyl)-3H-quinazolin-4-one
SMILESCOc1ccccc1C(=O)c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C16H12N2O3/c1-21-13-9-5-3-7-11(13)14(19)15-17-12-8-4-2-6-10(12)16(20)18-15/h2-9H,1H3,(H,17,18,20)
InChIKeyBQEHXTGALFZSRT-UHFFFAOYSA-N
XLogP2.16
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxybenzoyl)-3H-quinazolin-4-one?
The IUPAC name of 2-(2-methoxybenzoyl)-3H-quinazolin-4-one (CID 141483892) is 2-(2-methoxybenzoyl)-3H-quinazolin-4-one.
What is the SMILES notation for 2-(2-methoxybenzoyl)-3H-quinazolin-4-one?
The canonical SMILES for 2-(2-methoxybenzoyl)-3H-quinazolin-4-one is COc1ccccc1C(=O)c1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of 2-(2-methoxybenzoyl)-3H-quinazolin-4-one?
The InChIKey is BQEHXTGALFZSRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O3/c1-21-13-9-5-3-7-11(13)14(19)15-17-12-8-4-2-6-10(12)16(20)18-15/h2-9H,1H3,(H,17,18,20).
What are the key properties of 2-(2-methoxybenzoyl)-3H-quinazolin-4-one?
2-(2-methoxybenzoyl)-3H-quinazolin-4-one has a molecular weight of 280.28 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxybenzoyl)-3H-quinazolin-4-one is sourced from PubChem (CID 141483892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).