5-methylhexan-2-yl quinoxaline-6-carboxylate

C16H20N2O2 — CID 171383157

IUPAC5-methylhexan-2-yl quinoxaline-6-carboxylate
SMILESCC(C)CCC(C)OC(=O)c1ccc2nccnc2c1
InChIInChI=1S/C16H20N2O2/c1-11(2)4-5-12(3)20-16(19)13-6-7-14-15(10-13)18-9-8-17-14/h6-12H,4-5H2,1-3H3
InChIKeyORXUEDRMJZDQNW-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.61
Rot. Bonds5

About 5-methylhexan-2-yl quinoxaline-6-carboxylate

5-methylhexan-2-yl quinoxaline-6-carboxylate (PubChem CID 171383157) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 5-methylhexan-2-yl quinoxaline-6-carboxylate.

Molecular Properties

Compound Name5-methylhexan-2-yl quinoxaline-6-carboxylate
PubChem CID171383157
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name5-methylhexan-2-yl quinoxaline-6-carboxylate
SMILESCC(C)CCC(C)OC(=O)c1ccc2nccnc2c1
InChIInChI=1S/C16H20N2O2/c1-11(2)4-5-12(3)20-16(19)13-6-7-14-15(10-13)18-9-8-17-14/h6-12H,4-5H2,1-3H3
InChIKeyORXUEDRMJZDQNW-UHFFFAOYSA-N
XLogP3.61
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1-cyano-2-methylpropyl) quinoxaline-6-carboxylate
CID 75450836
[(1R)-1-cyano-2-methylpropyl] quinoxaline-6-carboxylate
CID 97342330
[(2R)-1-(2-methylpropylamino)-1-oxopropan-2-yl] quinoxaline-6-carboxylate
CID 8890040
2-methylpropoxycarbonyl quinoxaline-6-carboxylate
CID 59208154
N-(2-methylpropoxy)quinoxaline-6-carboxamide
CID 113304462
5,6,9-trimethyldecan-2-yl 4-methylbenzoate
CID 144725619
[(2R)-1-(benzylamino)-1-oxopropan-2-yl] quinoxaline-6-carboxylate
CID 7676841
octan-2-yl 2-(4-octan-2-yloxycarbonyl-2-pyridinyl)pyridine-4-carboxylate
CID 59288938
N-(2-hydroxypropyl)-N-methylquinoxaline-6-carboxamide
CID 62876403
[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] quinoxaline-6-carboxylate
CID 7676763
2-(4-ethoxyphenoxy)ethyl quinoxaline-6-carboxylate
CID 7676700
[(2R)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] quinoxaline-6-carboxylate
CID 30978765

Frequently Asked Questions

What is the IUPAC name of 5-methylhexan-2-yl quinoxaline-6-carboxylate?
The IUPAC name of 5-methylhexan-2-yl quinoxaline-6-carboxylate (CID 171383157) is 5-methylhexan-2-yl quinoxaline-6-carboxylate.
What is the SMILES notation for 5-methylhexan-2-yl quinoxaline-6-carboxylate?
The canonical SMILES for 5-methylhexan-2-yl quinoxaline-6-carboxylate is CC(C)CCC(C)OC(=O)c1ccc2nccnc2c1.
What is the InChIKey of 5-methylhexan-2-yl quinoxaline-6-carboxylate?
The InChIKey is ORXUEDRMJZDQNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-11(2)4-5-12(3)20-16(19)13-6-7-14-15(10-13)18-9-8-17-14/h6-12H,4-5H2,1-3H3.
What are the key properties of 5-methylhexan-2-yl quinoxaline-6-carboxylate?
5-methylhexan-2-yl quinoxaline-6-carboxylate has a molecular weight of 272.35 g/mol, XLogP of 3.61, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylhexan-2-yl quinoxaline-6-carboxylate is sourced from PubChem (CID 171383157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).