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

C18H20N2O2 — CID 54778423

IUPAC2-(3-ethoxyphenyl)-2,3-dimethyl-1H-quinazolin-4-one
SMILESCCOc1cccc(C2(C)Nc3ccccc3C(=O)N2C)c1
InChIInChI=1S/C18H20N2O2/c1-4-22-14-9-7-8-13(12-14)18(2)19-16-11-6-5-10-15(16)17(21)20(18)3/h5-12,19H,4H2,1-3H3
InChIKeyKDVVTMJOTQTCFU-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.46
Rot. Bonds3

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

2-(3-ethoxyphenyl)-2,3-dimethyl-1H-quinazolin-4-one (PubChem CID 54778423) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-(3-ethoxyphenyl)-2,3-dimethyl-1H-quinazolin-4-one.

Molecular Properties

Compound Name2-(3-ethoxyphenyl)-2,3-dimethyl-1H-quinazolin-4-one
PubChem CID54778423
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name2-(3-ethoxyphenyl)-2,3-dimethyl-1H-quinazolin-4-one
SMILESCCOc1cccc(C2(C)Nc3ccccc3C(=O)N2C)c1
InChIInChI=1S/C18H20N2O2/c1-4-22-14-9-7-8-13(12-14)18(2)19-16-11-6-5-10-15(16)17(21)20(18)3/h5-12,19H,4H2,1-3H3
InChIKeyKDVVTMJOTQTCFU-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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Related Compounds

3-ethyl-2-methyl-2-[3-(2-methylpropoxy)phenyl]-1H-quinazolin-4-one
CID 54777990
2-(3-butoxyphenyl)-2-methyl-3-propan-2-yl-1H-quinazolin-4-one
CID 54777854
2-(2-ethoxyphenyl)-2,3-dimethyl-1H-quinazolin-4-one
CID 54778352
2-methyl-3-(2-phenylethyl)-2-(3-propoxyphenyl)-1H-quinazolin-4-one
CID 54779214
3-butan-2-yl-2-[3-(2-ethoxyethoxy)phenyl]-2-methyl-1H-quinazolin-4-one
CID 54779210
2-[3-(2-ethoxyethoxy)phenyl]-3-(3-methoxypropyl)-2-methyl-1H-quinazolin-4-one
CID 54778725
3-butan-2-yl-2-(3-methoxyphenyl)-2-methyl-1H-quinazolin-4-one
CID 54779151
2-methyl-2-[3-(oxolan-2-ylmethoxy)phenyl]-3-propyl-1H-quinazolin-4-one
CID 54777762
(2R)-3-(4-ethoxyphenyl)-2-ethyl-2-methyl-1H-quinazolin-4-one
CID 703738
2-methyl-2-(3-pentoxyphenyl)-1,3-dihydroquinazolin-4-one
CID 54779593
3-(3-ethoxyphenyl)-3-hydroxy-1H-indol-2-one
CID 83036799
2,3-dimethyl-2-[2-(3-methylbutoxy)phenyl]-1H-quinazolin-4-one
CID 54778385

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxyphenyl)-2,3-dimethyl-1H-quinazolin-4-one?
The IUPAC name of 2-(3-ethoxyphenyl)-2,3-dimethyl-1H-quinazolin-4-one (CID 54778423) is 2-(3-ethoxyphenyl)-2,3-dimethyl-1H-quinazolin-4-one.
What is the SMILES notation for 2-(3-ethoxyphenyl)-2,3-dimethyl-1H-quinazolin-4-one?
The canonical SMILES for 2-(3-ethoxyphenyl)-2,3-dimethyl-1H-quinazolin-4-one is CCOc1cccc(C2(C)Nc3ccccc3C(=O)N2C)c1.
What is the InChIKey of 2-(3-ethoxyphenyl)-2,3-dimethyl-1H-quinazolin-4-one?
The InChIKey is KDVVTMJOTQTCFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-4-22-14-9-7-8-13(12-14)18(2)19-16-11-6-5-10-15(16)17(21)20(18)3/h5-12,19H,4H2,1-3H3.
What are the key properties of 2-(3-ethoxyphenyl)-2,3-dimethyl-1H-quinazolin-4-one?
2-(3-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-(3-ethoxyphenyl)-2,3-dimethyl-1H-quinazolin-4-one is sourced from PubChem (CID 54778423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).