[2-(3,5-dimethoxyphenyl)-4-oxoquinazolin-3-yl] 2,4,5-trimethylbenzoate

C26H24N2O5 — CID 6737786

IUPAC[2-(3,5-dimethoxyphenyl)-4-oxoquinazolin-3-yl] 2,4,5-trimethylbenzoate
SMILESCOc1cc(OC)cc(-c2nc3ccccc3c(=O)n2OC(=O)c2cc(C)c(C)cc2C)c1
InChIInChI=1S/C26H24N2O5/c1-15-10-17(3)22(11-16(15)2)26(30)33-28-24(18-12-19(31-4)14-20(13-18)32-5)27-23-9-7-6-8-21(23)25(28)29/h6-14H,1-5H3
InChIKeyIJDIEBGURPPMBG-UHFFFAOYSA-N
MW444.49 g/mol
LogP4.27
Rot. Bonds5

About [2-(3,5-dimethoxyphenyl)-4-oxoquinazolin-3-yl] 2,4,5-trimethylbenzoate

[2-(3,5-dimethoxyphenyl)-4-oxoquinazolin-3-yl] 2,4,5-trimethylbenzoate (PubChem CID 6737786) has the molecular formula C26H24N2O5 and a molecular weight of 444.49 g/mol. Its IUPAC name is [2-(3,5-dimethoxyphenyl)-4-oxoquinazolin-3-yl] 2,4,5-trimethylbenzoate.

Molecular Properties

Compound Name[2-(3,5-dimethoxyphenyl)-4-oxoquinazolin-3-yl] 2,4,5-trimethylbenzoate
PubChem CID6737786
Molecular FormulaC26H24N2O5
Molecular Weight444.49 g/mol
Exact Mass444.17
IUPAC Name[2-(3,5-dimethoxyphenyl)-4-oxoquinazolin-3-yl] 2,4,5-trimethylbenzoate
SMILESCOc1cc(OC)cc(-c2nc3ccccc3c(=O)n2OC(=O)c2cc(C)c(C)cc2C)c1
InChIInChI=1S/C26H24N2O5/c1-15-10-17(3)22(11-16(15)2)26(30)33-28-24(18-12-19(31-4)14-20(13-18)32-5)27-23-9-7-6-8-21(23)25(28)29/h6-14H,1-5H3
InChIKeyIJDIEBGURPPMBG-UHFFFAOYSA-N
XLogP4.27
TPSA79.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.49
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [2-(3,5-dimethoxyphenyl)-4-oxoquinazolin-3-yl] 2,4,5-trimethylbenzoate 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-(3-methylphenyl)-4-oxoquinazolin-3-yl] 3,4-dimethylbenzoate
CID 6620611
[2-(4-tert-butylphenyl)-4-oxoquinazolin-3-yl] 3,4-dimethylbenzoate
CID 23768248
[2-(3-methylphenyl)-4-oxoquinazolin-3-yl] 4-methylbenzoate
CID 118737735
(4-oxo-2-phenylquinazolin-3-yl) 3-methylbenzoate
CID 118737680
4-tert-butyl-N-[2-(3,5-dimethoxyphenyl)-4-oxoquinazolin-3-yl]benzamide
CID 23851582
3-[(4-chlorophenyl)methyl]-2-(3,5-dimethoxyphenyl)quinazolin-4-one
CID 46083232
4-(diethylamino)-N-[2-(3,5-dimethoxyphenyl)-4-oxoquinazolin-3-yl]benzamide
CID 6737747
3-amino-2-(3,4,5-trimethoxyphenyl)quinazolin-4-one
CID 777426
[2-(4-methoxyphenyl)-4-oxoquinazolin-3-yl] ethanesulfonate
CID 18737613
3-[(4-bromophenyl)methylamino]-2-(3,5-dimethoxyphenyl)quinazolin-4-one
CID 24990560
3-(4-butan-2-ylphenyl)-2-(3,5-dimethoxyphenyl)quinazolin-4-one
CID 24720134
(2-methyl-4-oxoquinazolin-3-yl) 4-butoxybenzoate
CID 6737947

Frequently Asked Questions

What is the IUPAC name of [2-(3,5-dimethoxyphenyl)-4-oxoquinazolin-3-yl] 2,4,5-trimethylbenzoate?
The IUPAC name of [2-(3,5-dimethoxyphenyl)-4-oxoquinazolin-3-yl] 2,4,5-trimethylbenzoate (CID 6737786) is [2-(3,5-dimethoxyphenyl)-4-oxoquinazolin-3-yl] 2,4,5-trimethylbenzoate.
What is the SMILES notation for [2-(3,5-dimethoxyphenyl)-4-oxoquinazolin-3-yl] 2,4,5-trimethylbenzoate?
The canonical SMILES for [2-(3,5-dimethoxyphenyl)-4-oxoquinazolin-3-yl] 2,4,5-trimethylbenzoate is COc1cc(OC)cc(-c2nc3ccccc3c(=O)n2OC(=O)c2cc(C)c(C)cc2C)c1.
What is the InChIKey of [2-(3,5-dimethoxyphenyl)-4-oxoquinazolin-3-yl] 2,4,5-trimethylbenzoate?
The InChIKey is IJDIEBGURPPMBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O5/c1-15-10-17(3)22(11-16(15)2)26(30)33-28-24(18-12-19(31-4)14-20(13-18)32-5)27-23-9-7-6-8-21(23)25(28)29/h6-14H,1-5H3.
What are the key properties of [2-(3,5-dimethoxyphenyl)-4-oxoquinazolin-3-yl] 2,4,5-trimethylbenzoate?
[2-(3,5-dimethoxyphenyl)-4-oxoquinazolin-3-yl] 2,4,5-trimethylbenzoate has a molecular weight of 444.49 g/mol, XLogP of 4.27, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,5-dimethoxyphenyl)-4-oxoquinazolin-3-yl] 2,4,5-trimethylbenzoate is sourced from PubChem (CID 6737786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).