6-(ethylideneamino)-7-methyl-1H-quinazoline-2,4-dione

C11H11N3O2 — CID 134360357

IUPAC6-(ethylideneamino)-7-methyl-1H-quinazoline-2,4-dione
SMILESC/C=N/c1cc2c(=O)[nH]c(=O)[nH]c2cc1C
InChIInChI=1S/C11H11N3O2/c1-3-12-8-5-7-9(4-6(8)2)13-11(16)14-10(7)15/h3-5H,1-2H3,(H2,13,14,15,16)/b12-3+
InChIKeyVPNOTXVUVFUNPG-KGVSQERTSA-N
MW217.23 g/mol
LogP1.25
Rot. Bonds1

About 6-(ethylideneamino)-7-methyl-1H-quinazoline-2,4-dione

6-(ethylideneamino)-7-methyl-1H-quinazoline-2,4-dione (PubChem CID 134360357) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is 6-(ethylideneamino)-7-methyl-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name6-(ethylideneamino)-7-methyl-1H-quinazoline-2,4-dione
PubChem CID134360357
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Name6-(ethylideneamino)-7-methyl-1H-quinazoline-2,4-dione
SMILESC/C=N/c1cc2c(=O)[nH]c(=O)[nH]c2cc1C
InChIInChI=1S/C11H11N3O2/c1-3-12-8-5-7-9(4-6(8)2)13-11(16)14-10(7)15/h3-5H,1-2H3,(H2,13,14,15,16)/b12-3+
InChIKeyVPNOTXVUVFUNPG-KGVSQERTSA-N
XLogP1.25
TPSA78.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 6-(ethylideneamino)-7-methyl-1H-quinazoline-2,4-dione 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 6-(ethylideneamino)-7-methyl-1H-quinazoline-2,4-dione?
The IUPAC name of 6-(ethylideneamino)-7-methyl-1H-quinazoline-2,4-dione (CID 134360357) is 6-(ethylideneamino)-7-methyl-1H-quinazoline-2,4-dione.
What is the SMILES notation for 6-(ethylideneamino)-7-methyl-1H-quinazoline-2,4-dione?
The canonical SMILES for 6-(ethylideneamino)-7-methyl-1H-quinazoline-2,4-dione is C/C=N/c1cc2c(=O)[nH]c(=O)[nH]c2cc1C.
What is the InChIKey of 6-(ethylideneamino)-7-methyl-1H-quinazoline-2,4-dione?
The InChIKey is VPNOTXVUVFUNPG-KGVSQERTSA-N. The full InChI is InChI=1S/C11H11N3O2/c1-3-12-8-5-7-9(4-6(8)2)13-11(16)14-10(7)15/h3-5H,1-2H3,(H2,13,14,15,16)/b12-3+.
What are the key properties of 6-(ethylideneamino)-7-methyl-1H-quinazoline-2,4-dione?
6-(ethylideneamino)-7-methyl-1H-quinazoline-2,4-dione has a molecular weight of 217.23 g/mol, XLogP of 1.25, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(ethylideneamino)-7-methyl-1H-quinazoline-2,4-dione is sourced from PubChem (CID 134360357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).