4-methyl-N-[(5-oxo-7,8-dihydro-6H-quinazolin-2-yl)carbamoyl]benzamide

C17H16N4O3 — CID 944790

IUPAC4-methyl-N-[(5-oxo-7,8-dihydro-6H-quinazolin-2-yl)carbamoyl]benzamide
SMILESCc1ccc(C(=O)NC(=O)Nc2ncc3c(n2)CCCC3=O)cc1
InChIInChI=1S/C17H16N4O3/c1-10-5-7-11(8-6-10)15(23)20-17(24)21-16-18-9-12-13(19-16)3-2-4-14(12)22/h5-9H,2-4H2,1H3,(H2,18,19,20,21,23,24)
InChIKeyPWYPERBETGLTHC-UHFFFAOYSA-N
MW324.34 g/mol
LogP2.27
Rot. Bonds2

About 4-methyl-N-[(5-oxo-7,8-dihydro-6H-quinazolin-2-yl)carbamoyl]benzamide

4-methyl-N-[(5-oxo-7,8-dihydro-6H-quinazolin-2-yl)carbamoyl]benzamide (PubChem CID 944790) has the molecular formula C17H16N4O3 and a molecular weight of 324.34 g/mol. Its IUPAC name is 4-methyl-N-[(5-oxo-7,8-dihydro-6H-quinazolin-2-yl)carbamoyl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[(5-oxo-7,8-dihydro-6H-quinazolin-2-yl)carbamoyl]benzamide
PubChem CID944790
Molecular FormulaC17H16N4O3
Molecular Weight324.34 g/mol
Exact Mass324.12
IUPAC Name4-methyl-N-[(5-oxo-7,8-dihydro-6H-quinazolin-2-yl)carbamoyl]benzamide
SMILESCc1ccc(C(=O)NC(=O)Nc2ncc3c(n2)CCCC3=O)cc1
InChIInChI=1S/C17H16N4O3/c1-10-5-7-11(8-6-10)15(23)20-17(24)21-16-18-9-12-13(19-16)3-2-4-14(12)22/h5-9H,2-4H2,1H3,(H2,18,19,20,21,23,24)
InChIKeyPWYPERBETGLTHC-UHFFFAOYSA-N
XLogP2.27
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-methyl-N-[(5-oxo-7,8-dihydro-6H-quinazolin-2-yl)carbamoyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(5-oxo-7,8-dihydro-6H-quinazolin-2-yl)carbamoyl]benzamide?
The IUPAC name of 4-methyl-N-[(5-oxo-7,8-dihydro-6H-quinazolin-2-yl)carbamoyl]benzamide (CID 944790) is 4-methyl-N-[(5-oxo-7,8-dihydro-6H-quinazolin-2-yl)carbamoyl]benzamide.
What is the SMILES notation for 4-methyl-N-[(5-oxo-7,8-dihydro-6H-quinazolin-2-yl)carbamoyl]benzamide?
The canonical SMILES for 4-methyl-N-[(5-oxo-7,8-dihydro-6H-quinazolin-2-yl)carbamoyl]benzamide is Cc1ccc(C(=O)NC(=O)Nc2ncc3c(n2)CCCC3=O)cc1.
What is the InChIKey of 4-methyl-N-[(5-oxo-7,8-dihydro-6H-quinazolin-2-yl)carbamoyl]benzamide?
The InChIKey is PWYPERBETGLTHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3/c1-10-5-7-11(8-6-10)15(23)20-17(24)21-16-18-9-12-13(19-16)3-2-4-14(12)22/h5-9H,2-4H2,1H3,(H2,18,19,20,21,23,24).
What are the key properties of 4-methyl-N-[(5-oxo-7,8-dihydro-6H-quinazolin-2-yl)carbamoyl]benzamide?
4-methyl-N-[(5-oxo-7,8-dihydro-6H-quinazolin-2-yl)carbamoyl]benzamide has a molecular weight of 324.34 g/mol, XLogP of 2.27, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(5-oxo-7,8-dihydro-6H-quinazolin-2-yl)carbamoyl]benzamide is sourced from PubChem (CID 944790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).