2-methoxy-N-(4-oxoquinazolin-3-yl)benzamide

C16H13N3O3 — CID 3240950

IUPAC2-methoxy-N-(4-oxoquinazolin-3-yl)benzamide
SMILESCOc1ccccc1C(=O)Nn1cnc2ccccc2c1=O
InChIInChI=1S/C16H13N3O3/c1-22-14-9-5-3-7-12(14)15(20)18-19-10-17-13-8-4-2-6-11(13)16(19)21/h2-10H,1H3,(H,18,20)
InChIKeyZQZKKICLWFTATR-UHFFFAOYSA-N
MW295.30 g/mol
LogP1.79
Rot. Bonds3

About 2-methoxy-N-(4-oxoquinazolin-3-yl)benzamide

2-methoxy-N-(4-oxoquinazolin-3-yl)benzamide (PubChem CID 3240950) has the molecular formula C16H13N3O3 and a molecular weight of 295.30 g/mol. Its IUPAC name is 2-methoxy-N-(4-oxoquinazolin-3-yl)benzamide.

Molecular Properties

Compound Name2-methoxy-N-(4-oxoquinazolin-3-yl)benzamide
PubChem CID3240950
Molecular FormulaC16H13N3O3
Molecular Weight295.30 g/mol
Exact Mass295.10
IUPAC Name2-methoxy-N-(4-oxoquinazolin-3-yl)benzamide
SMILESCOc1ccccc1C(=O)Nn1cnc2ccccc2c1=O
InChIInChI=1S/C16H13N3O3/c1-22-14-9-5-3-7-12(14)15(20)18-19-10-17-13-8-4-2-6-11(13)16(19)21/h2-10H,1H3,(H,18,20)
InChIKeyZQZKKICLWFTATR-UHFFFAOYSA-N
XLogP1.79
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(4-oxoquinazolin-3-yl)benzamide?
The IUPAC name of 2-methoxy-N-(4-oxoquinazolin-3-yl)benzamide (CID 3240950) is 2-methoxy-N-(4-oxoquinazolin-3-yl)benzamide.
What is the SMILES notation for 2-methoxy-N-(4-oxoquinazolin-3-yl)benzamide?
The canonical SMILES for 2-methoxy-N-(4-oxoquinazolin-3-yl)benzamide is COc1ccccc1C(=O)Nn1cnc2ccccc2c1=O.
What is the InChIKey of 2-methoxy-N-(4-oxoquinazolin-3-yl)benzamide?
The InChIKey is ZQZKKICLWFTATR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O3/c1-22-14-9-5-3-7-12(14)15(20)18-19-10-17-13-8-4-2-6-11(13)16(19)21/h2-10H,1H3,(H,18,20).
What are the key properties of 2-methoxy-N-(4-oxoquinazolin-3-yl)benzamide?
2-methoxy-N-(4-oxoquinazolin-3-yl)benzamide has a molecular weight of 295.30 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(4-oxoquinazolin-3-yl)benzamide is sourced from PubChem (CID 3240950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).