6-ethoxy-2-ethyl-7-methoxy-3H-quinazolin-4-one

C13H16N2O3 — CID 137010023

IUPAC6-ethoxy-2-ethyl-7-methoxy-3H-quinazolin-4-one
SMILESCCOc1cc2c(=O)[nH]c(CC)nc2cc1OC
InChIInChI=1S/C13H16N2O3/c1-4-12-14-9-7-10(17-3)11(18-5-2)6-8(9)13(16)15-12/h6-7H,4-5H2,1-3H3,(H,14,15,16)
InChIKeyOXKWZEKTKMAAQY-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.89
Rot. Bonds4

About 6-ethoxy-2-ethyl-7-methoxy-3H-quinazolin-4-one

6-ethoxy-2-ethyl-7-methoxy-3H-quinazolin-4-one (PubChem CID 137010023) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 6-ethoxy-2-ethyl-7-methoxy-3H-quinazolin-4-one.

Molecular Properties

Compound Name6-ethoxy-2-ethyl-7-methoxy-3H-quinazolin-4-one
PubChem CID137010023
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name6-ethoxy-2-ethyl-7-methoxy-3H-quinazolin-4-one
SMILESCCOc1cc2c(=O)[nH]c(CC)nc2cc1OC
InChIInChI=1S/C13H16N2O3/c1-4-12-14-9-7-10(17-3)11(18-5-2)6-8(9)13(16)15-12/h6-7H,4-5H2,1-3H3,(H,14,15,16)
InChIKeyOXKWZEKTKMAAQY-UHFFFAOYSA-N
XLogP1.89
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-2-ethyl-7-methoxy-3H-quinazolin-4-one?
The IUPAC name of 6-ethoxy-2-ethyl-7-methoxy-3H-quinazolin-4-one (CID 137010023) is 6-ethoxy-2-ethyl-7-methoxy-3H-quinazolin-4-one.
What is the SMILES notation for 6-ethoxy-2-ethyl-7-methoxy-3H-quinazolin-4-one?
The canonical SMILES for 6-ethoxy-2-ethyl-7-methoxy-3H-quinazolin-4-one is CCOc1cc2c(=O)[nH]c(CC)nc2cc1OC.
What is the InChIKey of 6-ethoxy-2-ethyl-7-methoxy-3H-quinazolin-4-one?
The InChIKey is OXKWZEKTKMAAQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-4-12-14-9-7-10(17-3)11(18-5-2)6-8(9)13(16)15-12/h6-7H,4-5H2,1-3H3,(H,14,15,16).
What are the key properties of 6-ethoxy-2-ethyl-7-methoxy-3H-quinazolin-4-one?
6-ethoxy-2-ethyl-7-methoxy-3H-quinazolin-4-one has a molecular weight of 248.28 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-2-ethyl-7-methoxy-3H-quinazolin-4-one is sourced from PubChem (CID 137010023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).