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

C12H16N2O2 — CID 115096466

IUPACmethyl 3,4-dimethyl-2,3-dihydro-1H-quinoxaline-5-carboxylate
SMILESCOC(=O)c1cccc2c1N(C)C(C)CN2
InChIInChI=1S/C12H16N2O2/c1-8-7-13-10-6-4-5-9(12(15)16-3)11(10)14(8)2/h4-6,8,13H,7H2,1-3H3
InChIKeyJIPZGEQBFJRDGT-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.72
Rot. Bonds1

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

methyl 3,4-dimethyl-2,3-dihydro-1H-quinoxaline-5-carboxylate (PubChem CID 115096466) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is methyl 3,4-dimethyl-2,3-dihydro-1H-quinoxaline-5-carboxylate.

Molecular Properties

Compound Namemethyl 3,4-dimethyl-2,3-dihydro-1H-quinoxaline-5-carboxylate
PubChem CID115096466
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Namemethyl 3,4-dimethyl-2,3-dihydro-1H-quinoxaline-5-carboxylate
SMILESCOC(=O)c1cccc2c1N(C)C(C)CN2
InChIInChI=1S/C12H16N2O2/c1-8-7-13-10-6-4-5-9(12(15)16-3)11(10)14(8)2/h4-6,8,13H,7H2,1-3H3
InChIKeyJIPZGEQBFJRDGT-UHFFFAOYSA-N
XLogP1.72
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-fluoro-2,3-dihydro-1H-indole-4-carboxylate
CID 117110564
methyl 1-ethyl-2-methyl-3,4-dihydro-2H-quinoxaline-5-carboxylate
CID 115096624
methyl 3-methyl-3,4-dihydro-2H-1,4-benzoxazine-8-carboxylate
CID 67374009
methyl 3-oxo-2,4-dihydro-1H-quinoxaline-5-carboxylate
CID 115095927
methyl 3,3-dimethyl-4-oxo-2,5-dihydro-1H-1,5-benzodiazepine-6-carboxylate
CID 115098711
di(113C)methyl benzene-1,2-dicarboxylate
CID 131668060
methyl 2-[(2R)-2-methylpiperazin-1-yl]benzoate
CID 45072841
methyl 4-methyl-2,3-dihydro-1,4-benzoxazine-5-carboxylate
CID 14373655
methyl 3-methyl-1,1,4-trioxo-3,5-dihydro-2H-1λ6,5-benzothiazepine-9-carboxylate
CID 115098592
dimethyl benzene-1,2-dicarboxylate;methane
CID 161056666
methyl 2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]benzoate
CID 155924431
methyl 4-oxospiro[2,5-dihydro-1H-1,5-benzodiazepine-3,1'-cyclopentane]-6-carboxylate
CID 115100058

Frequently Asked Questions

What is the IUPAC name of methyl 3,4-dimethyl-2,3-dihydro-1H-quinoxaline-5-carboxylate?
The IUPAC name of methyl 3,4-dimethyl-2,3-dihydro-1H-quinoxaline-5-carboxylate (CID 115096466) is methyl 3,4-dimethyl-2,3-dihydro-1H-quinoxaline-5-carboxylate.
What is the SMILES notation for methyl 3,4-dimethyl-2,3-dihydro-1H-quinoxaline-5-carboxylate?
The canonical SMILES for methyl 3,4-dimethyl-2,3-dihydro-1H-quinoxaline-5-carboxylate is COC(=O)c1cccc2c1N(C)C(C)CN2.
What is the InChIKey of methyl 3,4-dimethyl-2,3-dihydro-1H-quinoxaline-5-carboxylate?
The InChIKey is JIPZGEQBFJRDGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-8-7-13-10-6-4-5-9(12(15)16-3)11(10)14(8)2/h4-6,8,13H,7H2,1-3H3.
What are the key properties of methyl 3,4-dimethyl-2,3-dihydro-1H-quinoxaline-5-carboxylate?
methyl 3,4-dimethyl-2,3-dihydro-1H-quinoxaline-5-carboxylate has a molecular weight of 220.27 g/mol, XLogP of 1.72, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3,4-dimethyl-2,3-dihydro-1H-quinoxaline-5-carboxylate is sourced from PubChem (CID 115096466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).