2-(4-ethoxy-3,5-dimethylphenyl)-3H-quinazolin-4-one

C18H18N2O2 — CID 168551010

IUPAC2-(4-ethoxy-3,5-dimethylphenyl)-3H-quinazolin-4-one
SMILESCCOc1c(C)cc(-c2nc3ccccc3c(=O)[nH]2)cc1C
InChIInChI=1S/C18H18N2O2/c1-4-22-16-11(2)9-13(10-12(16)3)17-19-15-8-6-5-7-14(15)18(21)20-17/h5-10H,4H2,1-3H3,(H,19,20,21)
InChIKeyXURRVWTZGSVFCY-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.61
Rot. Bonds3

About 2-(4-ethoxy-3,5-dimethylphenyl)-3H-quinazolin-4-one

2-(4-ethoxy-3,5-dimethylphenyl)-3H-quinazolin-4-one (PubChem CID 168551010) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-(4-ethoxy-3,5-dimethylphenyl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(4-ethoxy-3,5-dimethylphenyl)-3H-quinazolin-4-one
PubChem CID168551010
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name2-(4-ethoxy-3,5-dimethylphenyl)-3H-quinazolin-4-one
SMILESCCOc1c(C)cc(-c2nc3ccccc3c(=O)[nH]2)cc1C
InChIInChI=1S/C18H18N2O2/c1-4-22-16-11(2)9-13(10-12(16)3)17-19-15-8-6-5-7-14(15)18(21)20-17/h5-10H,4H2,1-3H3,(H,19,20,21)
InChIKeyXURRVWTZGSVFCY-UHFFFAOYSA-N
XLogP3.61
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-ethoxy-3,5-dimethylphenyl)-3H-quinazolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-ethoxy-3-methylphenyl)-3H-quinazolin-4-one
CID 168551046
2-(3-chloro-4-ethoxy-5-fluorophenyl)-3H-quinazolin-4-one
CID 168552141
2-(4-ethoxy-3-iodo-5-methoxyphenyl)-3H-quinazolin-4-one
CID 168552547
2-(4-methyl-3-pentoxyphenyl)-3H-quinazolin-4-one
CID 168551335
2-(4-ethoxy-2,6-difluorophenyl)-3H-quinazolin-4-one
CID 168553260
2-(3-ethoxy-4-hydroxy-5-prop-2-enylphenyl)-3H-quinazolin-4-one
CID 168551703
2-(3,5-dichlorophenyl)-3H-quinazolin-4-one
CID 168550718
2-(4-oxo-3H-quinazolin-2-yl)-3H-quinazolin-4-one
CID 135465251
2-(3-ethoxy-5-prop-2-enyl-4-propoxyphenyl)-3H-quinazolin-4-one
CID 168551953
2-(2-ethoxy-5-fluorophenyl)-3H-quinazolin-4-one
CID 168551059
2-(4-tert-butylphenyl)-3H-quinazolin-4-one
CID 135443955
2-[4-(4-methylphenoxy)phenyl]-3H-quinazolin-4-one
CID 168552737

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxy-3,5-dimethylphenyl)-3H-quinazolin-4-one?
The IUPAC name of 2-(4-ethoxy-3,5-dimethylphenyl)-3H-quinazolin-4-one (CID 168551010) is 2-(4-ethoxy-3,5-dimethylphenyl)-3H-quinazolin-4-one.
What is the SMILES notation for 2-(4-ethoxy-3,5-dimethylphenyl)-3H-quinazolin-4-one?
The canonical SMILES for 2-(4-ethoxy-3,5-dimethylphenyl)-3H-quinazolin-4-one is CCOc1c(C)cc(-c2nc3ccccc3c(=O)[nH]2)cc1C.
What is the InChIKey of 2-(4-ethoxy-3,5-dimethylphenyl)-3H-quinazolin-4-one?
The InChIKey is XURRVWTZGSVFCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-4-22-16-11(2)9-13(10-12(16)3)17-19-15-8-6-5-7-14(15)18(21)20-17/h5-10H,4H2,1-3H3,(H,19,20,21).
What are the key properties of 2-(4-ethoxy-3,5-dimethylphenyl)-3H-quinazolin-4-one?
2-(4-ethoxy-3,5-dimethylphenyl)-3H-quinazolin-4-one has a molecular weight of 294.35 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxy-3,5-dimethylphenyl)-3H-quinazolin-4-one is sourced from PubChem (CID 168551010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).