methyl 4-ethyl-3,3-dimethyl-1,2-dihydroquinoxaline-6-carboxylate

C14H20N2O2 — CID 115096829

IUPACmethyl 4-ethyl-3,3-dimethyl-1,2-dihydroquinoxaline-6-carboxylate
SMILESCCN1c2cc(C(=O)OC)ccc2NCC1(C)C
InChIInChI=1S/C14H20N2O2/c1-5-16-12-8-10(13(17)18-4)6-7-11(12)15-9-14(16,2)3/h6-8,15H,5,9H2,1-4H3
InChIKeyGHLPKGGDVMGHSR-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.50
Rot. Bonds2

About methyl 4-ethyl-3,3-dimethyl-1,2-dihydroquinoxaline-6-carboxylate

methyl 4-ethyl-3,3-dimethyl-1,2-dihydroquinoxaline-6-carboxylate (PubChem CID 115096829) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is methyl 4-ethyl-3,3-dimethyl-1,2-dihydroquinoxaline-6-carboxylate.

Molecular Properties

Compound Namemethyl 4-ethyl-3,3-dimethyl-1,2-dihydroquinoxaline-6-carboxylate
PubChem CID115096829
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Namemethyl 4-ethyl-3,3-dimethyl-1,2-dihydroquinoxaline-6-carboxylate
SMILESCCN1c2cc(C(=O)OC)ccc2NCC1(C)C
InChIInChI=1S/C14H20N2O2/c1-5-16-12-8-10(13(17)18-4)6-7-11(12)15-9-14(16,2)3/h6-8,15H,5,9H2,1-4H3
InChIKeyGHLPKGGDVMGHSR-UHFFFAOYSA-N
XLogP2.50
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (3S)-3-(hydroxymethyl)-3-methyl-1,2-dihydroindole-5-carboxylate
CID 125474692
methyl 4-methyl-3-oxo-1,2-dihydroquinoxaline-6-carboxylate
CID 91671836
methyl 4-ethyl-2-methyl-2,3-dihydro-1H-quinoxaline-6-carboxylate
CID 115096188
methyl 1-ethyl-3,4-dihydro-2H-quinoline-7-carboxylate
CID 134691949
methyl 3,3-dimethyl-4-oxo-2,5-dihydro-1,5-benzothiazepine-8-carboxylate
CID 115098815
methyl 4-amino-3-(1,1-dioxo-1,4-thiazinan-4-yl)benzoate
CID 82784985
methyl 4-amino-3-(4-ethyl-3-methylpiperazin-1-yl)benzoate
CID 82796254
methyl (1R,9R)-10-ethyl-9-methyl-11-sulfanylidene-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxylate
CID 7246359
6-methoxycarbonyl-2,4-dimethyl-3H-1,4-benzoxazine-2-carboxylic acid
CID 126646074
methyl 4-ethyl-1,1,3-trioxo-1λ6,4-benzothiazine-6-carboxylate
CID 67635979
methyl 1,1-dioxospiro[4,5-dihydro-2H-1λ6,5-benzothiazepine-3,1'-cyclopropane]-7-carboxylate
CID 115098955
methyl 4-amino-3-(3,3-dimethylpyrrolidin-1-yl)benzoate
CID 82795731

Frequently Asked Questions

What is the IUPAC name of methyl 4-ethyl-3,3-dimethyl-1,2-dihydroquinoxaline-6-carboxylate?
The IUPAC name of methyl 4-ethyl-3,3-dimethyl-1,2-dihydroquinoxaline-6-carboxylate (CID 115096829) is methyl 4-ethyl-3,3-dimethyl-1,2-dihydroquinoxaline-6-carboxylate.
What is the SMILES notation for methyl 4-ethyl-3,3-dimethyl-1,2-dihydroquinoxaline-6-carboxylate?
The canonical SMILES for methyl 4-ethyl-3,3-dimethyl-1,2-dihydroquinoxaline-6-carboxylate is CCN1c2cc(C(=O)OC)ccc2NCC1(C)C.
What is the InChIKey of methyl 4-ethyl-3,3-dimethyl-1,2-dihydroquinoxaline-6-carboxylate?
The InChIKey is GHLPKGGDVMGHSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-5-16-12-8-10(13(17)18-4)6-7-11(12)15-9-14(16,2)3/h6-8,15H,5,9H2,1-4H3.
What are the key properties of methyl 4-ethyl-3,3-dimethyl-1,2-dihydroquinoxaline-6-carboxylate?
methyl 4-ethyl-3,3-dimethyl-1,2-dihydroquinoxaline-6-carboxylate has a molecular weight of 248.33 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-ethyl-3,3-dimethyl-1,2-dihydroquinoxaline-6-carboxylate is sourced from PubChem (CID 115096829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).