N-(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)benzamide

C17H15N3O4 — CID 135399549

IUPACN-(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)benzamide
SMILESCOc1cc2nc(NC(=O)c3ccccc3)[nH]c(=O)c2cc1OC
InChIInChI=1S/C17H15N3O4/c1-23-13-8-11-12(9-14(13)24-2)18-17(20-16(11)22)19-15(21)10-6-4-3-5-7-10/h3-9H,1-2H3,(H2,18,19,20,21,22)
InChIKeySTDAUJHFBQBVBF-UHFFFAOYSA-N
MW325.32 g/mol
LogP2.19
Rot. Bonds4

About N-(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)benzamide

N-(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)benzamide (PubChem CID 135399549) has the molecular formula C17H15N3O4 and a molecular weight of 325.32 g/mol. Its IUPAC name is N-(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)benzamide.

Molecular Properties

Compound NameN-(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)benzamide
PubChem CID135399549
Molecular FormulaC17H15N3O4
Molecular Weight325.32 g/mol
Exact Mass325.11
IUPAC NameN-(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)benzamide
SMILESCOc1cc2nc(NC(=O)c3ccccc3)[nH]c(=O)c2cc1OC
InChIInChI=1S/C17H15N3O4/c1-23-13-8-11-12(9-14(13)24-2)18-17(20-16(11)22)19-15(21)10-6-4-3-5-7-10/h3-9H,1-2H3,(H2,18,19,20,21,22)
InChIKeySTDAUJHFBQBVBF-UHFFFAOYSA-N
XLogP2.19
TPSA93.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)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 N-(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)benzamide?
The IUPAC name of N-(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)benzamide (CID 135399549) is N-(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)benzamide.
What is the SMILES notation for N-(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)benzamide?
The canonical SMILES for N-(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)benzamide is COc1cc2nc(NC(=O)c3ccccc3)[nH]c(=O)c2cc1OC.
What is the InChIKey of N-(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)benzamide?
The InChIKey is STDAUJHFBQBVBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O4/c1-23-13-8-11-12(9-14(13)24-2)18-17(20-16(11)22)19-15(21)10-6-4-3-5-7-10/h3-9H,1-2H3,(H2,18,19,20,21,22).
What are the key properties of N-(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)benzamide?
N-(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)benzamide has a molecular weight of 325.32 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)benzamide is sourced from PubChem (CID 135399549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).