benzyl 3-[4-(4-methoxyphenyl)-3-oxoquinoxalin-2-yl]propanoate

C25H22N2O4 — CID 7203672

IUPACbenzyl 3-[4-(4-methoxyphenyl)-3-oxoquinoxalin-2-yl]propanoate
SMILESCOc1ccc(-n2c(=O)c(CCC(=O)OCc3ccccc3)nc3ccccc32)cc1
InChIInChI=1S/C25H22N2O4/c1-30-20-13-11-19(12-14-20)27-23-10-6-5-9-21(23)26-22(25(27)29)15-16-24(28)31-17-18-7-3-2-4-8-18/h2-14H,15-17H2,1H3
InChIKeyDIIOXFLSDGUWJK-UHFFFAOYSA-N
MW414.46 g/mol
LogP4.07
Rot. Bonds7

About benzyl 3-[4-(4-methoxyphenyl)-3-oxoquinoxalin-2-yl]propanoate

benzyl 3-[4-(4-methoxyphenyl)-3-oxoquinoxalin-2-yl]propanoate (PubChem CID 7203672) has the molecular formula C25H22N2O4 and a molecular weight of 414.46 g/mol. Its IUPAC name is benzyl 3-[4-(4-methoxyphenyl)-3-oxoquinoxalin-2-yl]propanoate.

Molecular Properties

Compound Namebenzyl 3-[4-(4-methoxyphenyl)-3-oxoquinoxalin-2-yl]propanoate
PubChem CID7203672
Molecular FormulaC25H22N2O4
Molecular Weight414.46 g/mol
Exact Mass414.16
IUPAC Namebenzyl 3-[4-(4-methoxyphenyl)-3-oxoquinoxalin-2-yl]propanoate
SMILESCOc1ccc(-n2c(=O)c(CCC(=O)OCc3ccccc3)nc3ccccc32)cc1
InChIInChI=1S/C25H22N2O4/c1-30-20-13-11-19(12-14-20)27-23-10-6-5-9-21(23)26-22(25(27)29)15-16-24(28)31-17-18-7-3-2-4-8-18/h2-14H,15-17H2,1H3
InChIKeyDIIOXFLSDGUWJK-UHFFFAOYSA-N
XLogP4.07
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.46
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze benzyl 3-[4-(4-methoxyphenyl)-3-oxoquinoxalin-2-yl]propanoate 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

N-(4-methoxyphenyl)-3-[4-(4-methoxyphenyl)-3-oxoquinoxalin-2-yl]propanamide
CID 17447565
(4-methoxyphenyl)methyl 3-phenylpropanoate
CID 23201626
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-[4-(4-methoxyphenyl)-3-oxoquinoxalin-2-yl]propanamide
CID 42907186
benzyl 4-(4-methoxyphenyl)-4-oxobutanoate
CID 14321218
[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl 3-[3-oxo-4-(2-phenylethyl)quinoxalin-2-yl]propanoate
CID 55540214
(4-methoxyphenyl)methyl 2-methylbenzimidazole-1-carboxylate
CID 67949207
ethyl 3-[4-[(4-chlorophenyl)methyl]-3-oxoquinoxalin-2-yl]propanoate
CID 4640836
3-oxo-4-(4-propoxyphenyl)quinoxaline-2-carboxylic acid
CID 154665130
azane;benzyl 3-phenylpropanoate
CID 175136325
benzyl 3-[5,7-dimethoxy-3-(4-methoxyphenyl)-2-oxoquinolin-1-yl]propanoate
CID 10972777
2-benzyl-3-(4-methoxyphenyl)quinazolin-4-one
CID 1130557
[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl 3-[3-oxo-4-(2-phenylethyl)quinoxalin-2-yl]propanoate
CID 55448197

Frequently Asked Questions

What is the IUPAC name of benzyl 3-[4-(4-methoxyphenyl)-3-oxoquinoxalin-2-yl]propanoate?
The IUPAC name of benzyl 3-[4-(4-methoxyphenyl)-3-oxoquinoxalin-2-yl]propanoate (CID 7203672) is benzyl 3-[4-(4-methoxyphenyl)-3-oxoquinoxalin-2-yl]propanoate.
What is the SMILES notation for benzyl 3-[4-(4-methoxyphenyl)-3-oxoquinoxalin-2-yl]propanoate?
The canonical SMILES for benzyl 3-[4-(4-methoxyphenyl)-3-oxoquinoxalin-2-yl]propanoate is COc1ccc(-n2c(=O)c(CCC(=O)OCc3ccccc3)nc3ccccc32)cc1.
What is the InChIKey of benzyl 3-[4-(4-methoxyphenyl)-3-oxoquinoxalin-2-yl]propanoate?
The InChIKey is DIIOXFLSDGUWJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O4/c1-30-20-13-11-19(12-14-20)27-23-10-6-5-9-21(23)26-22(25(27)29)15-16-24(28)31-17-18-7-3-2-4-8-18/h2-14H,15-17H2,1H3.
What are the key properties of benzyl 3-[4-(4-methoxyphenyl)-3-oxoquinoxalin-2-yl]propanoate?
benzyl 3-[4-(4-methoxyphenyl)-3-oxoquinoxalin-2-yl]propanoate has a molecular weight of 414.46 g/mol, XLogP of 4.07, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-[4-(4-methoxyphenyl)-3-oxoquinoxalin-2-yl]propanoate is sourced from PubChem (CID 7203672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).