ethyl 3-methyl-5,6,7,8-tetrahydroquinoxaline-2-carboxylate

C12H16N2O2 — CID 10331055

IUPACethyl 3-methyl-5,6,7,8-tetrahydroquinoxaline-2-carboxylate
SMILESCCOC(=O)c1nc2c(nc1C)CCCC2
InChIInChI=1S/C12H16N2O2/c1-3-16-12(15)11-8(2)13-9-6-4-5-7-10(9)14-11/h3-7H2,1-2H3
InChIKeyIDBUCCOTROUKOK-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.84
Rot. Bonds2

About ethyl 3-methyl-5,6,7,8-tetrahydroquinoxaline-2-carboxylate

ethyl 3-methyl-5,6,7,8-tetrahydroquinoxaline-2-carboxylate (PubChem CID 10331055) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is ethyl 3-methyl-5,6,7,8-tetrahydroquinoxaline-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-methyl-5,6,7,8-tetrahydroquinoxaline-2-carboxylate
PubChem CID10331055
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Nameethyl 3-methyl-5,6,7,8-tetrahydroquinoxaline-2-carboxylate
SMILESCCOC(=O)c1nc2c(nc1C)CCCC2
InChIInChI=1S/C12H16N2O2/c1-3-16-12(15)11-8(2)13-9-6-4-5-7-10(9)14-11/h3-7H2,1-2H3
InChIKeyIDBUCCOTROUKOK-UHFFFAOYSA-N
XLogP1.84
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-methyl-5,6,7,8-tetrahydroquinoxaline-2-carboxylate?
The IUPAC name of ethyl 3-methyl-5,6,7,8-tetrahydroquinoxaline-2-carboxylate (CID 10331055) is ethyl 3-methyl-5,6,7,8-tetrahydroquinoxaline-2-carboxylate.
What is the SMILES notation for ethyl 3-methyl-5,6,7,8-tetrahydroquinoxaline-2-carboxylate?
The canonical SMILES for ethyl 3-methyl-5,6,7,8-tetrahydroquinoxaline-2-carboxylate is CCOC(=O)c1nc2c(nc1C)CCCC2.
What is the InChIKey of ethyl 3-methyl-5,6,7,8-tetrahydroquinoxaline-2-carboxylate?
The InChIKey is IDBUCCOTROUKOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-3-16-12(15)11-8(2)13-9-6-4-5-7-10(9)14-11/h3-7H2,1-2H3.
What are the key properties of ethyl 3-methyl-5,6,7,8-tetrahydroquinoxaline-2-carboxylate?
ethyl 3-methyl-5,6,7,8-tetrahydroquinoxaline-2-carboxylate has a molecular weight of 220.27 g/mol, XLogP of 1.84, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-methyl-5,6,7,8-tetrahydroquinoxaline-2-carboxylate is sourced from PubChem (CID 10331055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).