6,7-diethoxy-4aH-quinazolin-4-one

C12H14N2O3 — CID 73025681

IUPAC6,7-diethoxy-4aH-quinazolin-4-one
SMILESCCOC1=CC2=NC=NC(=O)C2C=C1OCC
InChIInChI=1S/C12H14N2O3/c1-3-16-10-5-8-9(6-11(10)17-4-2)13-7-14-12(8)15/h5-8H,3-4H2,1-2H3
InChIKeyBQVWAOIXEFHXRX-UHFFFAOYSA-N
MW234.25 g/mol
LogP1.47
Rot. Bonds4

About 6,7-diethoxy-4aH-quinazolin-4-one

6,7-diethoxy-4aH-quinazolin-4-one (PubChem CID 73025681) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 6,7-diethoxy-4aH-quinazolin-4-one.

Molecular Properties

Compound Name6,7-diethoxy-4aH-quinazolin-4-one
PubChem CID73025681
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name6,7-diethoxy-4aH-quinazolin-4-one
SMILESCCOC1=CC2=NC=NC(=O)C2C=C1OCC
InChIInChI=1S/C12H14N2O3/c1-3-16-10-5-8-9(6-11(10)17-4-2)13-7-14-12(8)15/h5-8H,3-4H2,1-2H3
InChIKeyBQVWAOIXEFHXRX-UHFFFAOYSA-N
XLogP1.47
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6,7-diethoxy-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

7-fluoro-6-methoxy-4aH-quinazolin-4-one
CID 72207288
5-fluoro-7-methoxy-4aH-quinazolin-4-one
CID 77309909
7-(difluoromethoxy)-6-methoxy-4aH-quinazolin-4-one
CID 178191001
6,7-bis(2-methoxyethoxy)-4aH-quinazolin-4-one
CID 71651003
2-amino-6,7-dimethoxy-4aH-quinazolin-4-one
CID 45025720
6,7-dimethoxy-4aH-quinazolin-4-one
CID 71303885
6-hydroxy-7-methoxy-4aH-quinazolin-4-one
CID 71303970
(7-methoxy-4-oxo-4aH-quinazolin-6-yl) acetate
CID 71650931
5,7-dimethoxy-4aH-quinazolin-4-one
CID 73158327
7-methoxy-2-methyl-4aH-quinazolin-4-one
CID 73183698
6-iodo-7-methoxy-4aH-quinazolin-4-one
CID 73197381
7-ethoxy-6-hydroxy-4aH-quinazolin-4-one
CID 73412209

Frequently Asked Questions

What is the IUPAC name of 6,7-diethoxy-4aH-quinazolin-4-one?
The IUPAC name of 6,7-diethoxy-4aH-quinazolin-4-one (CID 73025681) is 6,7-diethoxy-4aH-quinazolin-4-one.
What is the SMILES notation for 6,7-diethoxy-4aH-quinazolin-4-one?
The canonical SMILES for 6,7-diethoxy-4aH-quinazolin-4-one is CCOC1=CC2=NC=NC(=O)C2C=C1OCC.
What is the InChIKey of 6,7-diethoxy-4aH-quinazolin-4-one?
The InChIKey is BQVWAOIXEFHXRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-3-16-10-5-8-9(6-11(10)17-4-2)13-7-14-12(8)15/h5-8H,3-4H2,1-2H3.
What are the key properties of 6,7-diethoxy-4aH-quinazolin-4-one?
6,7-diethoxy-4aH-quinazolin-4-one has a molecular weight of 234.25 g/mol, XLogP of 1.47, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-diethoxy-4aH-quinazolin-4-one is sourced from PubChem (CID 73025681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).