6-ethoxy-7-methoxy-4aH-quinazolin-4-one

C11H12N2O3 — CID 76845612

IUPAC6-ethoxy-7-methoxy-4aH-quinazolin-4-one
SMILESCCOC1=CC2C(=O)N=CN=C2C=C1OC
InChIInChI=1S/C11H12N2O3/c1-3-16-10-4-7-8(5-9(10)15-2)12-6-13-11(7)14/h4-7H,3H2,1-2H3
InChIKeyNDGMSHHDGRXAAZ-UHFFFAOYSA-N
MW220.23 g/mol
LogP1.08
Rot. Bonds3

About 6-ethoxy-7-methoxy-4aH-quinazolin-4-one

6-ethoxy-7-methoxy-4aH-quinazolin-4-one (PubChem CID 76845612) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is 6-ethoxy-7-methoxy-4aH-quinazolin-4-one.

Molecular Properties

Compound Name6-ethoxy-7-methoxy-4aH-quinazolin-4-one
PubChem CID76845612
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Name6-ethoxy-7-methoxy-4aH-quinazolin-4-one
SMILESCCOC1=CC2C(=O)N=CN=C2C=C1OC
InChIInChI=1S/C11H12N2O3/c1-3-16-10-4-7-8(5-9(10)15-2)12-6-13-11(7)14/h4-7H,3H2,1-2H3
InChIKeyNDGMSHHDGRXAAZ-UHFFFAOYSA-N
XLogP1.08
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 ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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
4(3H)-Quinazolinone, 6,7-diethoxy-
CID 73025681
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

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-7-methoxy-4aH-quinazolin-4-one?
The IUPAC name of 6-ethoxy-7-methoxy-4aH-quinazolin-4-one (CID 76845612) is 6-ethoxy-7-methoxy-4aH-quinazolin-4-one.
What is the SMILES notation for 6-ethoxy-7-methoxy-4aH-quinazolin-4-one?
The canonical SMILES for 6-ethoxy-7-methoxy-4aH-quinazolin-4-one is CCOC1=CC2C(=O)N=CN=C2C=C1OC.
What is the InChIKey of 6-ethoxy-7-methoxy-4aH-quinazolin-4-one?
The InChIKey is NDGMSHHDGRXAAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c1-3-16-10-4-7-8(5-9(10)15-2)12-6-13-11(7)14/h4-7H,3H2,1-2H3.
What are the key properties of 6-ethoxy-7-methoxy-4aH-quinazolin-4-one?
6-ethoxy-7-methoxy-4aH-quinazolin-4-one has a molecular weight of 220.23 g/mol, XLogP of 1.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-7-methoxy-4aH-quinazolin-4-one is sourced from PubChem (CID 76845612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).