2-(2-ethoxyphenyl)-2,3-dimethyl-1H-quinazolin-4-one

C18H20N2O2 — CID 54778352

IUPAC2-(2-ethoxyphenyl)-2,3-dimethyl-1H-quinazolin-4-one
SMILESCCOc1ccccc1C1(C)Nc2ccccc2C(=O)N1C
InChIInChI=1S/C18H20N2O2/c1-4-22-16-12-8-6-10-14(16)18(2)19-15-11-7-5-9-13(15)17(21)20(18)3/h5-12,19H,4H2,1-3H3
InChIKeyNEKVXJKVMJFLMV-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.46
Rot. Bonds3

About 2-(2-ethoxyphenyl)-2,3-dimethyl-1H-quinazolin-4-one

2-(2-ethoxyphenyl)-2,3-dimethyl-1H-quinazolin-4-one (PubChem CID 54778352) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-(2-ethoxyphenyl)-2,3-dimethyl-1H-quinazolin-4-one.

Molecular Properties

Compound Name2-(2-ethoxyphenyl)-2,3-dimethyl-1H-quinazolin-4-one
PubChem CID54778352
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name2-(2-ethoxyphenyl)-2,3-dimethyl-1H-quinazolin-4-one
SMILESCCOc1ccccc1C1(C)Nc2ccccc2C(=O)N1C
InChIInChI=1S/C18H20N2O2/c1-4-22-16-12-8-6-10-14(16)18(2)19-15-11-7-5-9-13(15)17(21)20(18)3/h5-12,19H,4H2,1-3H3
InChIKeyNEKVXJKVMJFLMV-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 2-(2-ethoxyphenyl)-2,3-dimethyl-1H-quinazolin-4-one?
The IUPAC name of 2-(2-ethoxyphenyl)-2,3-dimethyl-1H-quinazolin-4-one (CID 54778352) is 2-(2-ethoxyphenyl)-2,3-dimethyl-1H-quinazolin-4-one.
What is the SMILES notation for 2-(2-ethoxyphenyl)-2,3-dimethyl-1H-quinazolin-4-one?
The canonical SMILES for 2-(2-ethoxyphenyl)-2,3-dimethyl-1H-quinazolin-4-one is CCOc1ccccc1C1(C)Nc2ccccc2C(=O)N1C.
What is the InChIKey of 2-(2-ethoxyphenyl)-2,3-dimethyl-1H-quinazolin-4-one?
The InChIKey is NEKVXJKVMJFLMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-4-22-16-12-8-6-10-14(16)18(2)19-15-11-7-5-9-13(15)17(21)20(18)3/h5-12,19H,4H2,1-3H3.
What are the key properties of 2-(2-ethoxyphenyl)-2,3-dimethyl-1H-quinazolin-4-one?
2-(2-ethoxyphenyl)-2,3-dimethyl-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 2-(2-ethoxyphenyl)-2,3-dimethyl-1H-quinazolin-4-one is sourced from PubChem (CID 54778352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).