ethyl 3-(4-methylphenyl)-3,4-dihydroquinoxaline-2-carboxylate

C18H18N2O2 — CID 10780136

IUPACethyl 3-(4-methylphenyl)-3,4-dihydroquinoxaline-2-carboxylate
SMILESCCOC(=O)C1=Nc2ccccc2NC1c1ccc(C)cc1
InChIInChI=1S/C18H18N2O2/c1-3-22-18(21)17-16(13-10-8-12(2)9-11-13)19-14-6-4-5-7-15(14)20-17/h4-11,16,19H,3H2,1-2H3
InChIKeyHWWDXDZTTXWFNI-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.80
Rot. Bonds3

About ethyl 3-(4-methylphenyl)-3,4-dihydroquinoxaline-2-carboxylate

ethyl 3-(4-methylphenyl)-3,4-dihydroquinoxaline-2-carboxylate (PubChem CID 10780136) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is ethyl 3-(4-methylphenyl)-3,4-dihydroquinoxaline-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-(4-methylphenyl)-3,4-dihydroquinoxaline-2-carboxylate
PubChem CID10780136
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Nameethyl 3-(4-methylphenyl)-3,4-dihydroquinoxaline-2-carboxylate
SMILESCCOC(=O)C1=Nc2ccccc2NC1c1ccc(C)cc1
InChIInChI=1S/C18H18N2O2/c1-3-22-18(21)17-16(13-10-8-12(2)9-11-13)19-14-6-4-5-7-15(14)20-17/h4-11,16,19H,3H2,1-2H3
InChIKeyHWWDXDZTTXWFNI-UHFFFAOYSA-N
XLogP3.80
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 3-(4-methylphenyl)-3,4-dihydroquinoxaline-2-carboxylate 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 ethyl 3-(4-methylphenyl)-3,4-dihydroquinoxaline-2-carboxylate?
The IUPAC name of ethyl 3-(4-methylphenyl)-3,4-dihydroquinoxaline-2-carboxylate (CID 10780136) is ethyl 3-(4-methylphenyl)-3,4-dihydroquinoxaline-2-carboxylate.
What is the SMILES notation for ethyl 3-(4-methylphenyl)-3,4-dihydroquinoxaline-2-carboxylate?
The canonical SMILES for ethyl 3-(4-methylphenyl)-3,4-dihydroquinoxaline-2-carboxylate is CCOC(=O)C1=Nc2ccccc2NC1c1ccc(C)cc1.
What is the InChIKey of ethyl 3-(4-methylphenyl)-3,4-dihydroquinoxaline-2-carboxylate?
The InChIKey is HWWDXDZTTXWFNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-3-22-18(21)17-16(13-10-8-12(2)9-11-13)19-14-6-4-5-7-15(14)20-17/h4-11,16,19H,3H2,1-2H3.
What are the key properties of ethyl 3-(4-methylphenyl)-3,4-dihydroquinoxaline-2-carboxylate?
ethyl 3-(4-methylphenyl)-3,4-dihydroquinoxaline-2-carboxylate has a molecular weight of 294.35 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(4-methylphenyl)-3,4-dihydroquinoxaline-2-carboxylate is sourced from PubChem (CID 10780136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).