methyl 4-ethyl-2-methyl-2,3-dihydro-1H-quinoxaline-6-carboxylate

C13H18N2O2 — CID 115096188

IUPACmethyl 4-ethyl-2-methyl-2,3-dihydro-1H-quinoxaline-6-carboxylate
SMILESCCN1CC(C)Nc2ccc(C(=O)OC)cc21
InChIInChI=1S/C13H18N2O2/c1-4-15-8-9(2)14-11-6-5-10(7-12(11)15)13(16)17-3/h5-7,9,14H,4,8H2,1-3H3
InChIKeyJRXBEBXMEPNODM-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.11
Rot. Bonds2

About methyl 4-ethyl-2-methyl-2,3-dihydro-1H-quinoxaline-6-carboxylate

methyl 4-ethyl-2-methyl-2,3-dihydro-1H-quinoxaline-6-carboxylate (PubChem CID 115096188) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is methyl 4-ethyl-2-methyl-2,3-dihydro-1H-quinoxaline-6-carboxylate.

Molecular Properties

Compound Namemethyl 4-ethyl-2-methyl-2,3-dihydro-1H-quinoxaline-6-carboxylate
PubChem CID115096188
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Namemethyl 4-ethyl-2-methyl-2,3-dihydro-1H-quinoxaline-6-carboxylate
SMILESCCN1CC(C)Nc2ccc(C(=O)OC)cc21
InChIInChI=1S/C13H18N2O2/c1-4-15-8-9(2)14-11-6-5-10(7-12(11)15)13(16)17-3/h5-7,9,14H,4,8H2,1-3H3
InChIKeyJRXBEBXMEPNODM-UHFFFAOYSA-N
XLogP2.11
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-cyclopropyl-3-methyl-3,4-dihydro-2H-quinoxaline-6-carboxylate
CID 143018821
methyl 1-ethyl-3,4-dihydro-2H-quinoline-7-carboxylate
CID 134691949
methyl 4-ethyl-3,3-dimethyl-1,2-dihydroquinoxaline-6-carboxylate
CID 115096829
methyl 4-methyl-3-oxo-1,2-dihydroquinoxaline-6-carboxylate
CID 91671836
methyl 4-amino-3-(4-ethyl-3-methylpiperazin-1-yl)benzoate
CID 82796254
ethane;methyl 2-(chloromethyl)-3-(oxetan-2-ylmethyl)-1,2-dihydrobenzimidazole-5-carboxylate
CID 162737392
methyl 4-ethyl-1,1,3-trioxo-1λ6,4-benzothiazine-6-carboxylate
CID 67635979
methyl 4-amino-3-(4-methylpiperidin-1-yl)benzoate
CID 82790891
methyl 3-ethyl-7-methoxy-1,2-dihydrobenzimidazole-5-carboxylate
CID 90946670
methyl 2-propyl-1,2,3,4-tetrahydroquinoline-7-carboxylate
CID 86099354
methyl 1-propan-2-yl-2,3-dihydroindazole-5-carboxylate
CID 90356055
methyl 4-amino-3-(3,4-dimethoxypyrrolidin-1-yl)benzoate
CID 103537196

Frequently Asked Questions

What is the IUPAC name of methyl 4-ethyl-2-methyl-2,3-dihydro-1H-quinoxaline-6-carboxylate?
The IUPAC name of methyl 4-ethyl-2-methyl-2,3-dihydro-1H-quinoxaline-6-carboxylate (CID 115096188) is methyl 4-ethyl-2-methyl-2,3-dihydro-1H-quinoxaline-6-carboxylate.
What is the SMILES notation for methyl 4-ethyl-2-methyl-2,3-dihydro-1H-quinoxaline-6-carboxylate?
The canonical SMILES for methyl 4-ethyl-2-methyl-2,3-dihydro-1H-quinoxaline-6-carboxylate is CCN1CC(C)Nc2ccc(C(=O)OC)cc21.
What is the InChIKey of methyl 4-ethyl-2-methyl-2,3-dihydro-1H-quinoxaline-6-carboxylate?
The InChIKey is JRXBEBXMEPNODM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-4-15-8-9(2)14-11-6-5-10(7-12(11)15)13(16)17-3/h5-7,9,14H,4,8H2,1-3H3.
What are the key properties of methyl 4-ethyl-2-methyl-2,3-dihydro-1H-quinoxaline-6-carboxylate?
methyl 4-ethyl-2-methyl-2,3-dihydro-1H-quinoxaline-6-carboxylate has a molecular weight of 234.30 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-ethyl-2-methyl-2,3-dihydro-1H-quinoxaline-6-carboxylate is sourced from PubChem (CID 115096188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).