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

C17H15N3O3 — CID 742907

IUPAC4-methoxy-N-(2-methyl-4-oxoquinazolin-3-yl)benzamide
SMILESCOc1ccc(C(=O)Nn2c(C)nc3ccccc3c2=O)cc1
InChIInChI=1S/C17H15N3O3/c1-11-18-15-6-4-3-5-14(15)17(22)20(11)19-16(21)12-7-9-13(23-2)10-8-12/h3-10H,1-2H3,(H,19,21)
InChIKeyGRPZEPZESNEBNA-UHFFFAOYSA-N
MW309.33 g/mol
LogP2.10
Rot. Bonds3

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

4-methoxy-N-(2-methyl-4-oxoquinazolin-3-yl)benzamide (PubChem CID 742907) has the molecular formula C17H15N3O3 and a molecular weight of 309.33 g/mol. Its IUPAC name is 4-methoxy-N-(2-methyl-4-oxoquinazolin-3-yl)benzamide.

Molecular Properties

Compound Name4-methoxy-N-(2-methyl-4-oxoquinazolin-3-yl)benzamide
PubChem CID742907
Molecular FormulaC17H15N3O3
Molecular Weight309.33 g/mol
Exact Mass309.11
IUPAC Name4-methoxy-N-(2-methyl-4-oxoquinazolin-3-yl)benzamide
SMILESCOc1ccc(C(=O)Nn2c(C)nc3ccccc3c2=O)cc1
InChIInChI=1S/C17H15N3O3/c1-11-18-15-6-4-3-5-14(15)17(22)20(11)19-16(21)12-7-9-13(23-2)10-8-12/h3-10H,1-2H3,(H,19,21)
InChIKeyGRPZEPZESNEBNA-UHFFFAOYSA-N
XLogP2.10
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(2-methyl-4-oxoquinazolin-3-yl)benzamide?
The IUPAC name of 4-methoxy-N-(2-methyl-4-oxoquinazolin-3-yl)benzamide (CID 742907) is 4-methoxy-N-(2-methyl-4-oxoquinazolin-3-yl)benzamide.
What is the SMILES notation for 4-methoxy-N-(2-methyl-4-oxoquinazolin-3-yl)benzamide?
The canonical SMILES for 4-methoxy-N-(2-methyl-4-oxoquinazolin-3-yl)benzamide is COc1ccc(C(=O)Nn2c(C)nc3ccccc3c2=O)cc1.
What is the InChIKey of 4-methoxy-N-(2-methyl-4-oxoquinazolin-3-yl)benzamide?
The InChIKey is GRPZEPZESNEBNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3/c1-11-18-15-6-4-3-5-14(15)17(22)20(11)19-16(21)12-7-9-13(23-2)10-8-12/h3-10H,1-2H3,(H,19,21).
What are the key properties of 4-methoxy-N-(2-methyl-4-oxoquinazolin-3-yl)benzamide?
4-methoxy-N-(2-methyl-4-oxoquinazolin-3-yl)benzamide has a molecular weight of 309.33 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(2-methyl-4-oxoquinazolin-3-yl)benzamide is sourced from PubChem (CID 742907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).