methyl 1-ethyl-2-methyl-3,4-dihydro-2H-quinoxaline-5-carboxylate

C13H18N2O2 — CID 115096624

IUPACmethyl 1-ethyl-2-methyl-3,4-dihydro-2H-quinoxaline-5-carboxylate
SMILESCCN1c2cccc(C(=O)OC)c2NCC1C
InChIInChI=1S/C13H18N2O2/c1-4-15-9(2)8-14-12-10(13(16)17-3)6-5-7-11(12)15/h5-7,9,14H,4,8H2,1-3H3
InChIKeyGQWZJFZZVCOTAM-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.11
Rot. Bonds2

About methyl 1-ethyl-2-methyl-3,4-dihydro-2H-quinoxaline-5-carboxylate

methyl 1-ethyl-2-methyl-3,4-dihydro-2H-quinoxaline-5-carboxylate (PubChem CID 115096624) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is methyl 1-ethyl-2-methyl-3,4-dihydro-2H-quinoxaline-5-carboxylate.

Molecular Properties

Compound Namemethyl 1-ethyl-2-methyl-3,4-dihydro-2H-quinoxaline-5-carboxylate
PubChem CID115096624
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Namemethyl 1-ethyl-2-methyl-3,4-dihydro-2H-quinoxaline-5-carboxylate
SMILESCCN1c2cccc(C(=O)OC)c2NCC1C
InChIInChI=1S/C13H18N2O2/c1-4-15-9(2)8-14-12-10(13(16)17-3)6-5-7-11(12)15/h5-7,9,14H,4,8H2,1-3H3
InChIKeyGQWZJFZZVCOTAM-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

(1-ethyl-2-methyl-3,4-dihydro-2H-quinoxalin-5-yl)methanol
CID 115096618
methyl 3,4-dimethyl-2,3-dihydro-1H-quinoxaline-5-carboxylate
CID 115096466
methyl 2-[(2R)-2-methylpiperazin-1-yl]benzoate
CID 45072841
methyl 2,2,4-trimethyl-3,4-dihydro-1H-quinoline-8-carboxylate
CID 127243793
methyl 2-(4-ethylpiperazin-1-yl)benzoate
CID 99973041
methyl 2-[(3R)-3-methylpiperazin-1-yl]benzoate
CID 45072853
methyl 3-oxo-2,4-dihydro-1H-quinoxaline-5-carboxylate
CID 115095927
methyl 2-amino-3-(4-methylpiperidin-1-yl)benzoate
CID 113332380
methyl 3-fluoro-2,3-dihydro-1H-indole-4-carboxylate
CID 117110564
di(113C)methyl benzene-1,2-dicarboxylate
CID 131668060
methyl 2-(2-butylpiperazin-1-yl)benzoate
CID 75088525
methyl 2-[(6-methylmorpholin-2-yl)methoxy]pyridine-3-carboxylate
CID 102635178

Frequently Asked Questions

What is the IUPAC name of methyl 1-ethyl-2-methyl-3,4-dihydro-2H-quinoxaline-5-carboxylate?
The IUPAC name of methyl 1-ethyl-2-methyl-3,4-dihydro-2H-quinoxaline-5-carboxylate (CID 115096624) is methyl 1-ethyl-2-methyl-3,4-dihydro-2H-quinoxaline-5-carboxylate.
What is the SMILES notation for methyl 1-ethyl-2-methyl-3,4-dihydro-2H-quinoxaline-5-carboxylate?
The canonical SMILES for methyl 1-ethyl-2-methyl-3,4-dihydro-2H-quinoxaline-5-carboxylate is CCN1c2cccc(C(=O)OC)c2NCC1C.
What is the InChIKey of methyl 1-ethyl-2-methyl-3,4-dihydro-2H-quinoxaline-5-carboxylate?
The InChIKey is GQWZJFZZVCOTAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-4-15-9(2)8-14-12-10(13(16)17-3)6-5-7-11(12)15/h5-7,9,14H,4,8H2,1-3H3.
What are the key properties of methyl 1-ethyl-2-methyl-3,4-dihydro-2H-quinoxaline-5-carboxylate?
methyl 1-ethyl-2-methyl-3,4-dihydro-2H-quinoxaline-5-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 1-ethyl-2-methyl-3,4-dihydro-2H-quinoxaline-5-carboxylate is sourced from PubChem (CID 115096624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).