ethyl 2-(4-methylphenyl)quinoxaline-6-carboxylate

C18H16N2O2 — CID 175538196

IUPACethyl 2-(4-methylphenyl)quinoxaline-6-carboxylate
SMILESCCOC(=O)c1ccc2nc(-c3ccc(C)cc3)cnc2c1
InChIInChI=1S/C18H16N2O2/c1-3-22-18(21)14-8-9-15-16(10-14)19-11-17(20-15)13-6-4-12(2)5-7-13/h4-11H,3H2,1-2H3
InChIKeyMYLKBBUTCLIFCP-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.78
Rot. Bonds3

About ethyl 2-(4-methylphenyl)quinoxaline-6-carboxylate

ethyl 2-(4-methylphenyl)quinoxaline-6-carboxylate (PubChem CID 175538196) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is ethyl 2-(4-methylphenyl)quinoxaline-6-carboxylate.

Molecular Properties

Compound Nameethyl 2-(4-methylphenyl)quinoxaline-6-carboxylate
PubChem CID175538196
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Nameethyl 2-(4-methylphenyl)quinoxaline-6-carboxylate
SMILESCCOC(=O)c1ccc2nc(-c3ccc(C)cc3)cnc2c1
InChIInChI=1S/C18H16N2O2/c1-3-22-18(21)14-8-9-15-16(10-14)19-11-17(20-15)13-6-4-12(2)5-7-13/h4-11H,3H2,1-2H3
InChIKeyMYLKBBUTCLIFCP-UHFFFAOYSA-N
XLogP3.78
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 2-(4-methylphenyl)quinoxaline-6-carboxylate 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

ethyl 3-methoxyquinoxaline-6-carboxylate
CID 89443102
ethyl 1,2-dihydroxycyclobuta[b]quinoxaline-5-carboxylate
CID 135479169
ethyl 3-(5-methyl-2-pyridinyl)benzoate
CID 71746517
(4-quinoxalin-2-ylphenyl) 4-methylbenzoate
CID 1115480
ethyl 4-ethoxy-2-phenylquinoline-6-carboxylate
CID 22425101
3-(4-methoxyphenyl)quinoxaline-6-carboxamide
CID 15906060
ethyl 4-methylbenzoate;hydrochloride
CID 172804692
ethane;ethyl 4-methylbenzoate
CID 142095143
ethyl 4-(6,7-dimethoxyquinolin-3-yl)benzoate
CID 10042684
ethyl 4-(2-chloropyrimidin-4-yl)benzoate
CID 11065261
ethyl 3-cyclopropylquinoline-6-carboxylate
CID 139487727
[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl quinoxaline-6-carboxylate
CID 17478413

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-methylphenyl)quinoxaline-6-carboxylate?
The IUPAC name of ethyl 2-(4-methylphenyl)quinoxaline-6-carboxylate (CID 175538196) is ethyl 2-(4-methylphenyl)quinoxaline-6-carboxylate.
What is the SMILES notation for ethyl 2-(4-methylphenyl)quinoxaline-6-carboxylate?
The canonical SMILES for ethyl 2-(4-methylphenyl)quinoxaline-6-carboxylate is CCOC(=O)c1ccc2nc(-c3ccc(C)cc3)cnc2c1.
What is the InChIKey of ethyl 2-(4-methylphenyl)quinoxaline-6-carboxylate?
The InChIKey is MYLKBBUTCLIFCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c1-3-22-18(21)14-8-9-15-16(10-14)19-11-17(20-15)13-6-4-12(2)5-7-13/h4-11H,3H2,1-2H3.
What are the key properties of ethyl 2-(4-methylphenyl)quinoxaline-6-carboxylate?
ethyl 2-(4-methylphenyl)quinoxaline-6-carboxylate has a molecular weight of 292.34 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-methylphenyl)quinoxaline-6-carboxylate is sourced from PubChem (CID 175538196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).