2-(dimethoxymethyl)-4aH-quinazolin-4-one

C11H12N2O3 — CID 73243360

IUPAC2-(dimethoxymethyl)-4aH-quinazolin-4-one
SMILESCOC(OC)C1=NC(=O)C2C=CC=CC2=N1
InChIInChI=1S/C11H12N2O3/c1-15-11(16-2)9-12-8-6-4-3-5-7(8)10(14)13-9/h3-7,11H,1-2H3
InChIKeyVUBNQEYSKPNNJS-UHFFFAOYSA-N
MW220.23 g/mol
LogP0.73
Rot. Bonds3

About 2-(dimethoxymethyl)-4aH-quinazolin-4-one

2-(dimethoxymethyl)-4aH-quinazolin-4-one (PubChem CID 73243360) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is 2-(dimethoxymethyl)-4aH-quinazolin-4-one.

Molecular Properties

Compound Name2-(dimethoxymethyl)-4aH-quinazolin-4-one
PubChem CID73243360
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Name2-(dimethoxymethyl)-4aH-quinazolin-4-one
SMILESCOC(OC)C1=NC(=O)C2C=CC=CC2=N1
InChIInChI=1S/C11H12N2O3/c1-15-11(16-2)9-12-8-6-4-3-5-7(8)10(14)13-9/h3-7,11H,1-2H3
InChIKeyVUBNQEYSKPNNJS-UHFFFAOYSA-N
XLogP0.73
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2-(dimethoxymethyl)-4aH-quinazolin-4-one with MolForge

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

Launch Full Analysis

Related Compounds

ethyl 4-oxo-4aH-quinazoline-2-carboxylate
CID 71651985
5-chloro-2-(diethoxymethyl)-4aH-quinazolin-4-one
CID 77218591
2-methoxy-4aH-quinazolin-4-one
CID 76845210
2-ethoxy-4aH-quinazolin-4-one
CID 78203567

Frequently Asked Questions

What is the IUPAC name of 2-(dimethoxymethyl)-4aH-quinazolin-4-one?
The IUPAC name of 2-(dimethoxymethyl)-4aH-quinazolin-4-one (CID 73243360) is 2-(dimethoxymethyl)-4aH-quinazolin-4-one.
What is the SMILES notation for 2-(dimethoxymethyl)-4aH-quinazolin-4-one?
The canonical SMILES for 2-(dimethoxymethyl)-4aH-quinazolin-4-one is COC(OC)C1=NC(=O)C2C=CC=CC2=N1.
What is the InChIKey of 2-(dimethoxymethyl)-4aH-quinazolin-4-one?
The InChIKey is VUBNQEYSKPNNJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c1-15-11(16-2)9-12-8-6-4-3-5-7(8)10(14)13-9/h3-7,11H,1-2H3.
What are the key properties of 2-(dimethoxymethyl)-4aH-quinazolin-4-one?
2-(dimethoxymethyl)-4aH-quinazolin-4-one has a molecular weight of 220.23 g/mol, XLogP of 0.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethoxymethyl)-4aH-quinazolin-4-one is sourced from PubChem (CID 73243360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).