ethyl 3-[2-(2-methoxyphenyl)ethynyl]quinoxaline-2-carboxylate

C20H16N2O3 — CID 134131568

IUPACethyl 3-[2-(2-methoxyphenyl)ethynyl]quinoxaline-2-carboxylate
SMILESCCOC(=O)c1nc2ccccc2nc1C#Cc1ccccc1OC
InChIInChI=1S/C20H16N2O3/c1-3-25-20(23)19-17(21-15-9-5-6-10-16(15)22-19)13-12-14-8-4-7-11-18(14)24-2/h4-11H,3H2,1-2H3
InChIKeyFOLXSMCHLAVLAD-UHFFFAOYSA-N
MW332.36 g/mol
LogP3.21
Rot. Bonds3

About ethyl 3-[2-(2-methoxyphenyl)ethynyl]quinoxaline-2-carboxylate

ethyl 3-[2-(2-methoxyphenyl)ethynyl]quinoxaline-2-carboxylate (PubChem CID 134131568) has the molecular formula C20H16N2O3 and a molecular weight of 332.36 g/mol. Its IUPAC name is ethyl 3-[2-(2-methoxyphenyl)ethynyl]quinoxaline-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-[2-(2-methoxyphenyl)ethynyl]quinoxaline-2-carboxylate
PubChem CID134131568
Molecular FormulaC20H16N2O3
Molecular Weight332.36 g/mol
Exact Mass332.12
IUPAC Nameethyl 3-[2-(2-methoxyphenyl)ethynyl]quinoxaline-2-carboxylate
SMILESCCOC(=O)c1nc2ccccc2nc1C#Cc1ccccc1OC
InChIInChI=1S/C20H16N2O3/c1-3-25-20(23)19-17(21-15-9-5-6-10-16(15)22-19)13-12-14-8-4-7-11-18(14)24-2/h4-11H,3H2,1-2H3
InChIKeyFOLXSMCHLAVLAD-UHFFFAOYSA-N
XLogP3.21
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl 3,4-difluoroquinoline-2-carboxylate
CID 175398160
1,2-bis[2-(2-methoxyphenyl)ethynyl]benzene
CID 11313747
3-(2-methoxyphenyl)prop-2-ynyl benzoate
CID 162397532
diethyl 4-chloroquinoline-2,3-dicarboxylate
CID 169101735
ethyl 3-[4-amino-3-[2-(2-methoxyphenyl)ethynyl]phenyl]propanoate
CID 142738568
ethyl 4-(2-methoxyphenyl)-2-phenyl-1H-imidazole-5-carboxylate
CID 44605551
ethyl 3-bromo-6,7-dimethoxyquinoxaline-2-carboxylate
CID 133060108
ethyl 3-[4-(4-methoxyphenyl)piperazin-1-yl]quinoxaline-2-carboxylate
CID 50765029
ethyl 5-imino-2-(2-methoxyphenyl)thiadiazole-4-carboxylate
CID 1499221
4-[(3-ethoxycarbonylquinoxalin-2-yl)amino]benzoic acid
CID 59113312
ethyl 6-cyano-5-methoxypyridine-2-carboxylate
CID 133097463
ethyl 3-(4,6-dimethylpyrimidin-2-yl)oxyquinoxaline-2-carboxylate
CID 134114694

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[2-(2-methoxyphenyl)ethynyl]quinoxaline-2-carboxylate?
The IUPAC name of ethyl 3-[2-(2-methoxyphenyl)ethynyl]quinoxaline-2-carboxylate (CID 134131568) is ethyl 3-[2-(2-methoxyphenyl)ethynyl]quinoxaline-2-carboxylate.
What is the SMILES notation for ethyl 3-[2-(2-methoxyphenyl)ethynyl]quinoxaline-2-carboxylate?
The canonical SMILES for ethyl 3-[2-(2-methoxyphenyl)ethynyl]quinoxaline-2-carboxylate is CCOC(=O)c1nc2ccccc2nc1C#Cc1ccccc1OC.
What is the InChIKey of ethyl 3-[2-(2-methoxyphenyl)ethynyl]quinoxaline-2-carboxylate?
The InChIKey is FOLXSMCHLAVLAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O3/c1-3-25-20(23)19-17(21-15-9-5-6-10-16(15)22-19)13-12-14-8-4-7-11-18(14)24-2/h4-11H,3H2,1-2H3.
What are the key properties of ethyl 3-[2-(2-methoxyphenyl)ethynyl]quinoxaline-2-carboxylate?
ethyl 3-[2-(2-methoxyphenyl)ethynyl]quinoxaline-2-carboxylate has a molecular weight of 332.36 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[2-(2-methoxyphenyl)ethynyl]quinoxaline-2-carboxylate is sourced from PubChem (CID 134131568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).