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

C14H18N2O2 — CID 143018821

IUPACmethyl 1-cyclopropyl-3-methyl-3,4-dihydro-2H-quinoxaline-6-carboxylate
SMILESCOC(=O)c1ccc2c(c1)NC(C)CN2C1CC1
InChIInChI=1S/C14H18N2O2/c1-9-8-16(11-4-5-11)13-6-3-10(14(17)18-2)7-12(13)15-9/h3,6-7,9,11,15H,4-5,8H2,1-2H3
InChIKeyLZNZOCFIQURTGV-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.26
Rot. Bonds2

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

methyl 1-cyclopropyl-3-methyl-3,4-dihydro-2H-quinoxaline-6-carboxylate (PubChem CID 143018821) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is methyl 1-cyclopropyl-3-methyl-3,4-dihydro-2H-quinoxaline-6-carboxylate.

Molecular Properties

Compound Namemethyl 1-cyclopropyl-3-methyl-3,4-dihydro-2H-quinoxaline-6-carboxylate
PubChem CID143018821
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Namemethyl 1-cyclopropyl-3-methyl-3,4-dihydro-2H-quinoxaline-6-carboxylate
SMILESCOC(=O)c1ccc2c(c1)NC(C)CN2C1CC1
InChIInChI=1S/C14H18N2O2/c1-9-8-16(11-4-5-11)13-6-3-10(14(17)18-2)7-12(13)15-9/h3,6-7,9,11,15H,4-5,8H2,1-2H3
InChIKeyLZNZOCFIQURTGV-UHFFFAOYSA-N
XLogP2.26
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1-cyclopropyl-3-methyl-3,4-dihydro-2H-quinoxaline-6-carboxylate?
The IUPAC name of methyl 1-cyclopropyl-3-methyl-3,4-dihydro-2H-quinoxaline-6-carboxylate (CID 143018821) is methyl 1-cyclopropyl-3-methyl-3,4-dihydro-2H-quinoxaline-6-carboxylate.
What is the SMILES notation for methyl 1-cyclopropyl-3-methyl-3,4-dihydro-2H-quinoxaline-6-carboxylate?
The canonical SMILES for methyl 1-cyclopropyl-3-methyl-3,4-dihydro-2H-quinoxaline-6-carboxylate is COC(=O)c1ccc2c(c1)NC(C)CN2C1CC1.
What is the InChIKey of methyl 1-cyclopropyl-3-methyl-3,4-dihydro-2H-quinoxaline-6-carboxylate?
The InChIKey is LZNZOCFIQURTGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-9-8-16(11-4-5-11)13-6-3-10(14(17)18-2)7-12(13)15-9/h3,6-7,9,11,15H,4-5,8H2,1-2H3.
What are the key properties of methyl 1-cyclopropyl-3-methyl-3,4-dihydro-2H-quinoxaline-6-carboxylate?
methyl 1-cyclopropyl-3-methyl-3,4-dihydro-2H-quinoxaline-6-carboxylate has a molecular weight of 246.31 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-cyclopropyl-3-methyl-3,4-dihydro-2H-quinoxaline-6-carboxylate is sourced from PubChem (CID 143018821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).