2-ethyl-3-(2-methoxyphenyl)quinazolin-4-one

C17H16N2O2 — CID 754087

IUPAC2-ethyl-3-(2-methoxyphenyl)quinazolin-4-one
SMILESCCc1nc2ccccc2c(=O)n1-c1ccccc1OC
InChIInChI=1S/C17H16N2O2/c1-3-16-18-13-9-5-4-8-12(13)17(20)19(16)14-10-6-7-11-15(14)21-2/h4-11H,3H2,1-2H3
InChIKeyUGKPRXPUOQLPBX-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.96
Rot. Bonds3

About 2-ethyl-3-(2-methoxyphenyl)quinazolin-4-one

2-ethyl-3-(2-methoxyphenyl)quinazolin-4-one (PubChem CID 754087) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-ethyl-3-(2-methoxyphenyl)quinazolin-4-one.

Molecular Properties

Compound Name2-ethyl-3-(2-methoxyphenyl)quinazolin-4-one
PubChem CID754087
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name2-ethyl-3-(2-methoxyphenyl)quinazolin-4-one
SMILESCCc1nc2ccccc2c(=O)n1-c1ccccc1OC
InChIInChI=1S/C17H16N2O2/c1-3-16-18-13-9-5-4-8-12(13)17(20)19(16)14-10-6-7-11-15(14)21-2/h4-11H,3H2,1-2H3
InChIKeyUGKPRXPUOQLPBX-UHFFFAOYSA-N
XLogP2.96
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-(2-methoxyphenyl)quinazolin-4-one?
The IUPAC name of 2-ethyl-3-(2-methoxyphenyl)quinazolin-4-one (CID 754087) is 2-ethyl-3-(2-methoxyphenyl)quinazolin-4-one.
What is the SMILES notation for 2-ethyl-3-(2-methoxyphenyl)quinazolin-4-one?
The canonical SMILES for 2-ethyl-3-(2-methoxyphenyl)quinazolin-4-one is CCc1nc2ccccc2c(=O)n1-c1ccccc1OC.
What is the InChIKey of 2-ethyl-3-(2-methoxyphenyl)quinazolin-4-one?
The InChIKey is UGKPRXPUOQLPBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-3-16-18-13-9-5-4-8-12(13)17(20)19(16)14-10-6-7-11-15(14)21-2/h4-11H,3H2,1-2H3.
What are the key properties of 2-ethyl-3-(2-methoxyphenyl)quinazolin-4-one?
2-ethyl-3-(2-methoxyphenyl)quinazolin-4-one has a molecular weight of 280.33 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-(2-methoxyphenyl)quinazolin-4-one is sourced from PubChem (CID 754087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).