ethyl 3-methyl-1,4-dihydroquinoxaline-2-carboxylate

C12H14N2O2 — CID 71194784

IUPACethyl 3-methyl-1,4-dihydroquinoxaline-2-carboxylate
SMILESCCOC(=O)C1=C(C)Nc2ccccc2N1
InChIInChI=1S/C12H14N2O2/c1-3-16-12(15)11-8(2)13-9-6-4-5-7-10(9)14-11/h4-7,13-14H,3H2,1-2H3
InChIKeyNWMCPNWEKGRJQU-UHFFFAOYSA-N
MW218.26 g/mol
LogP2.32
Rot. Bonds2

About ethyl 3-methyl-1,4-dihydroquinoxaline-2-carboxylate

ethyl 3-methyl-1,4-dihydroquinoxaline-2-carboxylate (PubChem CID 71194784) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is ethyl 3-methyl-1,4-dihydroquinoxaline-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-methyl-1,4-dihydroquinoxaline-2-carboxylate
PubChem CID71194784
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Nameethyl 3-methyl-1,4-dihydroquinoxaline-2-carboxylate
SMILESCCOC(=O)C1=C(C)Nc2ccccc2N1
InChIInChI=1S/C12H14N2O2/c1-3-16-12(15)11-8(2)13-9-6-4-5-7-10(9)14-11/h4-7,13-14H,3H2,1-2H3
InChIKeyNWMCPNWEKGRJQU-UHFFFAOYSA-N
XLogP2.32
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-hydroxy-2-methyl-1,4-dihydroquinoline-3-carboxylate
CID 140989258
tetraethyl 1,4-dihydropyrazine-2,3,5,6-tetracarboxylate
CID 154144676
diethyl (4E,15E)-3,5,14,16-tetramethyl-2,6,13,17-tetrazatricyclo[16.4.0.07,12]docosa-1(22),2,4,7,9,11,13,15,18,20-decaene-4,15-dicarboxylate
CID 11973529
diethyl 4-(2-aminophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 13374598
diethyl 2,6-dimethyl-4-(4-methylphenyl)-1H-pyrazine-3,5-dicarboxylate
CID 13477423
diethyl 2,4,6-trimethyl-1,4-dihydropyridine-3,5-dicarboxylate;ethyl benzoate
CID 91927684
diethyl 4-benzhydryl-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 13001830
diethyl 2,6-dimethyl-4-(2-phenylethyl)-1,4-dihydropyridine-3,5-dicarboxylate
CID 3457513
ethyl 5-ethyl-2,6-dimethyl-4-phenyl-1,4-dihydropyridine-3-carboxylate
CID 170528717
CID 158970570
CID 158970570
diethyl 2,6-dimethyl-4-(2-phenylethynyl)-1,4-dihydropyridine-3,5-dicarboxylate
CID 101024758
diethyl phenanthrene-9,10-dicarboxylate
CID 135029572

Frequently Asked Questions

What is the IUPAC name of ethyl 3-methyl-1,4-dihydroquinoxaline-2-carboxylate?
The IUPAC name of ethyl 3-methyl-1,4-dihydroquinoxaline-2-carboxylate (CID 71194784) is ethyl 3-methyl-1,4-dihydroquinoxaline-2-carboxylate.
What is the SMILES notation for ethyl 3-methyl-1,4-dihydroquinoxaline-2-carboxylate?
The canonical SMILES for ethyl 3-methyl-1,4-dihydroquinoxaline-2-carboxylate is CCOC(=O)C1=C(C)Nc2ccccc2N1.
What is the InChIKey of ethyl 3-methyl-1,4-dihydroquinoxaline-2-carboxylate?
The InChIKey is NWMCPNWEKGRJQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-3-16-12(15)11-8(2)13-9-6-4-5-7-10(9)14-11/h4-7,13-14H,3H2,1-2H3.
What are the key properties of ethyl 3-methyl-1,4-dihydroquinoxaline-2-carboxylate?
ethyl 3-methyl-1,4-dihydroquinoxaline-2-carboxylate has a molecular weight of 218.26 g/mol, XLogP of 2.32, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-methyl-1,4-dihydroquinoxaline-2-carboxylate is sourced from PubChem (CID 71194784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).