2-methylpropoxycarbonyl quinoxaline-6-carboxylate

C14H14N2O4 — CID 59208154

IUPAC2-methylpropoxycarbonyl quinoxaline-6-carboxylate
SMILESCC(C)COC(=O)OC(=O)c1ccc2nccnc2c1
InChIInChI=1S/C14H14N2O4/c1-9(2)8-19-14(18)20-13(17)10-3-4-11-12(7-10)16-6-5-15-11/h3-7,9H,8H2,1-2H3
InChIKeyITQROORHSBYXRV-UHFFFAOYSA-N
MW274.28 g/mol
LogP2.58
Rot. Bonds3

About 2-methylpropoxycarbonyl quinoxaline-6-carboxylate

2-methylpropoxycarbonyl quinoxaline-6-carboxylate (PubChem CID 59208154) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is 2-methylpropoxycarbonyl quinoxaline-6-carboxylate.

Molecular Properties

Compound Name2-methylpropoxycarbonyl quinoxaline-6-carboxylate
PubChem CID59208154
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Name2-methylpropoxycarbonyl quinoxaline-6-carboxylate
SMILESCC(C)COC(=O)OC(=O)c1ccc2nccnc2c1
InChIInChI=1S/C14H14N2O4/c1-9(2)8-19-14(18)20-13(17)10-3-4-11-12(7-10)16-6-5-15-11/h3-7,9H,8H2,1-2H3
InChIKeyITQROORHSBYXRV-UHFFFAOYSA-N
XLogP2.58
TPSA78.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-(2-methylpropoxy)quinoxaline-6-carboxamide
CID 113304462
2-methylpropoxycarbonyl 2-phenacylpyridine-4-carboxylate
CID 58247855
5-methylhexan-2-yl quinoxaline-6-carboxylate
CID 171383157
[(2R)-1-(2-methylpropylamino)-1-oxopropan-2-yl] quinoxaline-6-carboxylate
CID 8890040
[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] quinoxaline-6-carboxylate
CID 7676763
2-methylpropoxycarbonyl 5-fluoro-6-methoxypyridine-3-carboxylate
CID 87194470
[2-(4-acetamidoanilino)-2-oxoethyl] quinoxaline-6-carboxylate
CID 7677388
[(1R)-1-cyano-2-methylpropyl] quinoxaline-6-carboxylate
CID 97342330
(1-cyano-2-methylpropyl) quinoxaline-6-carboxylate
CID 75450836
[(2R)-1-(benzylamino)-1-oxopropan-2-yl] quinoxaline-6-carboxylate
CID 7676841
2-methylpropyl 3,4-diethoxybenzoate
CID 82186382
2-(4-ethoxyphenoxy)ethyl quinoxaline-6-carboxylate
CID 7676700

Frequently Asked Questions

What is the IUPAC name of 2-methylpropoxycarbonyl quinoxaline-6-carboxylate?
The IUPAC name of 2-methylpropoxycarbonyl quinoxaline-6-carboxylate (CID 59208154) is 2-methylpropoxycarbonyl quinoxaline-6-carboxylate.
What is the SMILES notation for 2-methylpropoxycarbonyl quinoxaline-6-carboxylate?
The canonical SMILES for 2-methylpropoxycarbonyl quinoxaline-6-carboxylate is CC(C)COC(=O)OC(=O)c1ccc2nccnc2c1.
What is the InChIKey of 2-methylpropoxycarbonyl quinoxaline-6-carboxylate?
The InChIKey is ITQROORHSBYXRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c1-9(2)8-19-14(18)20-13(17)10-3-4-11-12(7-10)16-6-5-15-11/h3-7,9H,8H2,1-2H3.
What are the key properties of 2-methylpropoxycarbonyl quinoxaline-6-carboxylate?
2-methylpropoxycarbonyl quinoxaline-6-carboxylate has a molecular weight of 274.28 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropoxycarbonyl quinoxaline-6-carboxylate is sourced from PubChem (CID 59208154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).