3-[2-(2,6-dimethylphenoxy)ethyl]-2-(4-methoxyphenyl)quinazolin-4-one

C25H24N2O3 — CID 3710468

IUPAC3-[2-(2,6-dimethylphenoxy)ethyl]-2-(4-methoxyphenyl)quinazolin-4-one
SMILESCOc1ccc(-c2nc3ccccc3c(=O)n2CCOc2c(C)cccc2C)cc1
InChIInChI=1S/C25H24N2O3/c1-17-7-6-8-18(2)23(17)30-16-15-27-24(19-11-13-20(29-3)14-12-19)26-22-10-5-4-9-21(22)25(27)28/h4-14H,15-16H2,1-3H3
InChIKeyUMUXMACVVHMPIE-UHFFFAOYSA-N
MW400.48 g/mol
LogP4.77
Rot. Bonds6

About 3-[2-(2,6-dimethylphenoxy)ethyl]-2-(4-methoxyphenyl)quinazolin-4-one

3-[2-(2,6-dimethylphenoxy)ethyl]-2-(4-methoxyphenyl)quinazolin-4-one (PubChem CID 3710468) has the molecular formula C25H24N2O3 and a molecular weight of 400.48 g/mol. Its IUPAC name is 3-[2-(2,6-dimethylphenoxy)ethyl]-2-(4-methoxyphenyl)quinazolin-4-one.

Molecular Properties

Compound Name3-[2-(2,6-dimethylphenoxy)ethyl]-2-(4-methoxyphenyl)quinazolin-4-one
PubChem CID3710468
Molecular FormulaC25H24N2O3
Molecular Weight400.48 g/mol
Exact Mass400.18
IUPAC Name3-[2-(2,6-dimethylphenoxy)ethyl]-2-(4-methoxyphenyl)quinazolin-4-one
SMILESCOc1ccc(-c2nc3ccccc3c(=O)n2CCOc2c(C)cccc2C)cc1
InChIInChI=1S/C25H24N2O3/c1-17-7-6-8-18(2)23(17)30-16-15-27-24(19-11-13-20(29-3)14-12-19)26-22-10-5-4-9-21(22)25(27)28/h4-14H,15-16H2,1-3H3
InChIKeyUMUXMACVVHMPIE-UHFFFAOYSA-N
XLogP4.77
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[2-(2,6-dimethylphenoxy)ethyl]-2-(4-methoxyphenyl)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

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,6-dimethylphenoxy)ethyl]-2-(4-methoxyphenyl)quinazolin-4-one?
The IUPAC name of 3-[2-(2,6-dimethylphenoxy)ethyl]-2-(4-methoxyphenyl)quinazolin-4-one (CID 3710468) is 3-[2-(2,6-dimethylphenoxy)ethyl]-2-(4-methoxyphenyl)quinazolin-4-one.
What is the SMILES notation for 3-[2-(2,6-dimethylphenoxy)ethyl]-2-(4-methoxyphenyl)quinazolin-4-one?
The canonical SMILES for 3-[2-(2,6-dimethylphenoxy)ethyl]-2-(4-methoxyphenyl)quinazolin-4-one is COc1ccc(-c2nc3ccccc3c(=O)n2CCOc2c(C)cccc2C)cc1.
What is the InChIKey of 3-[2-(2,6-dimethylphenoxy)ethyl]-2-(4-methoxyphenyl)quinazolin-4-one?
The InChIKey is UMUXMACVVHMPIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O3/c1-17-7-6-8-18(2)23(17)30-16-15-27-24(19-11-13-20(29-3)14-12-19)26-22-10-5-4-9-21(22)25(27)28/h4-14H,15-16H2,1-3H3.
What are the key properties of 3-[2-(2,6-dimethylphenoxy)ethyl]-2-(4-methoxyphenyl)quinazolin-4-one?
3-[2-(2,6-dimethylphenoxy)ethyl]-2-(4-methoxyphenyl)quinazolin-4-one has a molecular weight of 400.48 g/mol, XLogP of 4.77, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,6-dimethylphenoxy)ethyl]-2-(4-methoxyphenyl)quinazolin-4-one is sourced from PubChem (CID 3710468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).