N-(2-methyl-5,8-dioxoquinazolin-7-yl)acetamide

C11H9N3O3 — CID 46885794

IUPACN-(2-methyl-5,8-dioxoquinazolin-7-yl)acetamide
SMILESCC(=O)NC1=CC(=O)c2cnc(C)nc2C1=O
InChIInChI=1S/C11H9N3O3/c1-5-12-4-7-9(16)3-8(14-6(2)15)11(17)10(7)13-5/h3-4H,1-2H3,(H,14,15)
InChIKeyDMENLIVYSFIEHN-UHFFFAOYSA-N
MW231.21 g/mol
LogP0.18
Rot. Bonds1

About N-(2-methyl-5,8-dioxoquinazolin-7-yl)acetamide

N-(2-methyl-5,8-dioxoquinazolin-7-yl)acetamide (PubChem CID 46885794) has the molecular formula C11H9N3O3 and a molecular weight of 231.21 g/mol. Its IUPAC name is N-(2-methyl-5,8-dioxoquinazolin-7-yl)acetamide.

Molecular Properties

Compound NameN-(2-methyl-5,8-dioxoquinazolin-7-yl)acetamide
PubChem CID46885794
Molecular FormulaC11H9N3O3
Molecular Weight231.21 g/mol
Exact Mass231.06
IUPAC NameN-(2-methyl-5,8-dioxoquinazolin-7-yl)acetamide
SMILESCC(=O)NC1=CC(=O)c2cnc(C)nc2C1=O
InChIInChI=1S/C11H9N3O3/c1-5-12-4-7-9(16)3-8(14-6(2)15)11(17)10(7)13-5/h3-4H,1-2H3,(H,14,15)
InChIKeyDMENLIVYSFIEHN-UHFFFAOYSA-N
XLogP0.18
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.21
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

Analyze N-(2-methyl-5,8-dioxoquinazolin-7-yl)acetamide 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-(2-methyl-5,8-dioxoquinazolin-7-yl)acetamide?
The IUPAC name of N-(2-methyl-5,8-dioxoquinazolin-7-yl)acetamide (CID 46885794) is N-(2-methyl-5,8-dioxoquinazolin-7-yl)acetamide.
What is the SMILES notation for N-(2-methyl-5,8-dioxoquinazolin-7-yl)acetamide?
The canonical SMILES for N-(2-methyl-5,8-dioxoquinazolin-7-yl)acetamide is CC(=O)NC1=CC(=O)c2cnc(C)nc2C1=O.
What is the InChIKey of N-(2-methyl-5,8-dioxoquinazolin-7-yl)acetamide?
The InChIKey is DMENLIVYSFIEHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O3/c1-5-12-4-7-9(16)3-8(14-6(2)15)11(17)10(7)13-5/h3-4H,1-2H3,(H,14,15).
What are the key properties of N-(2-methyl-5,8-dioxoquinazolin-7-yl)acetamide?
N-(2-methyl-5,8-dioxoquinazolin-7-yl)acetamide has a molecular weight of 231.21 g/mol, XLogP of 0.18, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-5,8-dioxoquinazolin-7-yl)acetamide is sourced from PubChem (CID 46885794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).