3-ethyl-2-(2-methoxyphenyl)-2-methyl-1H-quinazolin-4-one

C18H20N2O2 — CID 54778006

IUPAC3-ethyl-2-(2-methoxyphenyl)-2-methyl-1H-quinazolin-4-one
SMILESCCN1C(=O)c2ccccc2NC1(C)c1ccccc1OC
InChIInChI=1S/C18H20N2O2/c1-4-20-17(21)13-9-5-7-11-15(13)19-18(20,2)14-10-6-8-12-16(14)22-3/h5-12,19H,4H2,1-3H3
InChIKeyXJWKOBKZUYPDBP-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.46
Rot. Bonds3

About 3-ethyl-2-(2-methoxyphenyl)-2-methyl-1H-quinazolin-4-one

3-ethyl-2-(2-methoxyphenyl)-2-methyl-1H-quinazolin-4-one (PubChem CID 54778006) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 3-ethyl-2-(2-methoxyphenyl)-2-methyl-1H-quinazolin-4-one.

Molecular Properties

Compound Name3-ethyl-2-(2-methoxyphenyl)-2-methyl-1H-quinazolin-4-one
PubChem CID54778006
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name3-ethyl-2-(2-methoxyphenyl)-2-methyl-1H-quinazolin-4-one
SMILESCCN1C(=O)c2ccccc2NC1(C)c1ccccc1OC
InChIInChI=1S/C18H20N2O2/c1-4-20-17(21)13-9-5-7-11-15(13)19-18(20,2)14-10-6-8-12-16(14)22-3/h5-12,19H,4H2,1-3H3
InChIKeyXJWKOBKZUYPDBP-UHFFFAOYSA-N
XLogP3.46
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-(2-methoxyphenyl)-2-methyl-1H-quinazolin-4-one?
The IUPAC name of 3-ethyl-2-(2-methoxyphenyl)-2-methyl-1H-quinazolin-4-one (CID 54778006) is 3-ethyl-2-(2-methoxyphenyl)-2-methyl-1H-quinazolin-4-one.
What is the SMILES notation for 3-ethyl-2-(2-methoxyphenyl)-2-methyl-1H-quinazolin-4-one?
The canonical SMILES for 3-ethyl-2-(2-methoxyphenyl)-2-methyl-1H-quinazolin-4-one is CCN1C(=O)c2ccccc2NC1(C)c1ccccc1OC.
What is the InChIKey of 3-ethyl-2-(2-methoxyphenyl)-2-methyl-1H-quinazolin-4-one?
The InChIKey is XJWKOBKZUYPDBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-4-20-17(21)13-9-5-7-11-15(13)19-18(20,2)14-10-6-8-12-16(14)22-3/h5-12,19H,4H2,1-3H3.
What are the key properties of 3-ethyl-2-(2-methoxyphenyl)-2-methyl-1H-quinazolin-4-one?
3-ethyl-2-(2-methoxyphenyl)-2-methyl-1H-quinazolin-4-one has a molecular weight of 296.37 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-(2-methoxyphenyl)-2-methyl-1H-quinazolin-4-one is sourced from PubChem (CID 54778006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).