ethyl 3-(imidazol-1-ylmethyl)quinoxaline-2-carboxylate

C15H14N4O2 — CID 54020274

IUPACethyl 3-(imidazol-1-ylmethyl)quinoxaline-2-carboxylate
SMILESCCOC(=O)c1nc2ccccc2nc1Cn1ccnc1
InChIInChI=1S/C15H14N4O2/c1-2-21-15(20)14-13(9-19-8-7-16-10-19)17-11-5-3-4-6-12(11)18-14/h3-8,10H,2,9H2,1H3
InChIKeyKYKYFUJMDRVJHZ-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.05
Rot. Bonds4

About ethyl 3-(imidazol-1-ylmethyl)quinoxaline-2-carboxylate

ethyl 3-(imidazol-1-ylmethyl)quinoxaline-2-carboxylate (PubChem CID 54020274) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is ethyl 3-(imidazol-1-ylmethyl)quinoxaline-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-(imidazol-1-ylmethyl)quinoxaline-2-carboxylate
PubChem CID54020274
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC Nameethyl 3-(imidazol-1-ylmethyl)quinoxaline-2-carboxylate
SMILESCCOC(=O)c1nc2ccccc2nc1Cn1ccnc1
InChIInChI=1S/C15H14N4O2/c1-2-21-15(20)14-13(9-19-8-7-16-10-19)17-11-5-3-4-6-12(11)18-14/h3-8,10H,2,9H2,1H3
InChIKeyKYKYFUJMDRVJHZ-UHFFFAOYSA-N
XLogP2.05
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[2-(imidazol-1-ylmethyl)phenyl]acetate
CID 70825151
ethyl 3-(chloromethyl)-5-(imidazol-1-ylmethyl)benzoate;hydrochloride
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ethyl 3-[3-(imidazol-1-ylmethyl)phenyl]prop-2-enoate
CID 54081431
ethyl 1-(2-imidazol-1-ylethyl)-3-methylpyrrole-2-carboxylate
CID 105421743
ethyl 3,4-difluoroquinoline-2-carboxylate
CID 175398160
ethyl 5-acetyl-2-(2-imidazol-1-ylethylamino)-1,3-thiazole-4-carboxylate
CID 107377667
ethyl 4-[2-[4-(imidazol-1-ylmethyl)-3-methylphenyl]ethynyl]benzoate
CID 22568837
ethyl triazolo[1,5-a]pyridine-3-carboxylate
CID 13111408
4-[(3-ethoxycarbonylquinoxalin-2-yl)amino]benzoic acid
CID 59113312
diethyl 4-acetyloxyquinoline-2,3-dicarboxylate
CID 132505447
ethyl 3-(4,6-dimethylpyrimidin-2-yl)oxyquinoxaline-2-carboxylate
CID 134114694
ethyl 3-(3-imidazol-1-ylpropoxy)benzoate
CID 139771562

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(imidazol-1-ylmethyl)quinoxaline-2-carboxylate?
The IUPAC name of ethyl 3-(imidazol-1-ylmethyl)quinoxaline-2-carboxylate (CID 54020274) is ethyl 3-(imidazol-1-ylmethyl)quinoxaline-2-carboxylate.
What is the SMILES notation for ethyl 3-(imidazol-1-ylmethyl)quinoxaline-2-carboxylate?
The canonical SMILES for ethyl 3-(imidazol-1-ylmethyl)quinoxaline-2-carboxylate is CCOC(=O)c1nc2ccccc2nc1Cn1ccnc1.
What is the InChIKey of ethyl 3-(imidazol-1-ylmethyl)quinoxaline-2-carboxylate?
The InChIKey is KYKYFUJMDRVJHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2/c1-2-21-15(20)14-13(9-19-8-7-16-10-19)17-11-5-3-4-6-12(11)18-14/h3-8,10H,2,9H2,1H3.
What are the key properties of ethyl 3-(imidazol-1-ylmethyl)quinoxaline-2-carboxylate?
ethyl 3-(imidazol-1-ylmethyl)quinoxaline-2-carboxylate has a molecular weight of 282.30 g/mol, XLogP of 2.05, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(imidazol-1-ylmethyl)quinoxaline-2-carboxylate is sourced from PubChem (CID 54020274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).