3-[2-(4-ethoxyphenyl)-2-oxoethyl]quinazolin-4-one

C18H16N2O3 — CID 4809024

IUPAC3-[2-(4-ethoxyphenyl)-2-oxoethyl]quinazolin-4-one
SMILESCCOc1ccc(C(=O)Cn2cnc3ccccc3c2=O)cc1
InChIInChI=1S/C18H16N2O3/c1-2-23-14-9-7-13(8-10-14)17(21)11-20-12-19-16-6-4-3-5-15(16)18(20)22/h3-10,12H,2,11H2,1H3
InChIKeyKRHZYXDJYVTJSG-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.68
Rot. Bonds5

About 3-[2-(4-ethoxyphenyl)-2-oxoethyl]quinazolin-4-one

3-[2-(4-ethoxyphenyl)-2-oxoethyl]quinazolin-4-one (PubChem CID 4809024) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is 3-[2-(4-ethoxyphenyl)-2-oxoethyl]quinazolin-4-one.

Molecular Properties

Compound Name3-[2-(4-ethoxyphenyl)-2-oxoethyl]quinazolin-4-one
PubChem CID4809024
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Name3-[2-(4-ethoxyphenyl)-2-oxoethyl]quinazolin-4-one
SMILESCCOc1ccc(C(=O)Cn2cnc3ccccc3c2=O)cc1
InChIInChI=1S/C18H16N2O3/c1-2-23-14-9-7-13(8-10-14)17(21)11-20-12-19-16-6-4-3-5-15(16)18(20)22/h3-10,12H,2,11H2,1H3
InChIKeyKRHZYXDJYVTJSG-UHFFFAOYSA-N
XLogP2.68
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-ethoxyphenyl)-2-oxoethyl]quinazolin-4-one?
The IUPAC name of 3-[2-(4-ethoxyphenyl)-2-oxoethyl]quinazolin-4-one (CID 4809024) is 3-[2-(4-ethoxyphenyl)-2-oxoethyl]quinazolin-4-one.
What is the SMILES notation for 3-[2-(4-ethoxyphenyl)-2-oxoethyl]quinazolin-4-one?
The canonical SMILES for 3-[2-(4-ethoxyphenyl)-2-oxoethyl]quinazolin-4-one is CCOc1ccc(C(=O)Cn2cnc3ccccc3c2=O)cc1.
What is the InChIKey of 3-[2-(4-ethoxyphenyl)-2-oxoethyl]quinazolin-4-one?
The InChIKey is KRHZYXDJYVTJSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-2-23-14-9-7-13(8-10-14)17(21)11-20-12-19-16-6-4-3-5-15(16)18(20)22/h3-10,12H,2,11H2,1H3.
What are the key properties of 3-[2-(4-ethoxyphenyl)-2-oxoethyl]quinazolin-4-one?
3-[2-(4-ethoxyphenyl)-2-oxoethyl]quinazolin-4-one has a molecular weight of 308.34 g/mol, XLogP of 2.68, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-ethoxyphenyl)-2-oxoethyl]quinazolin-4-one is sourced from PubChem (CID 4809024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).