2-methylbutyl 2-amino-1-cyclohexylpyrrolo[3,2-b]quinoxaline-3-carboxylate

C22H28N4O2 — CID 3800608

IUPAC2-methylbutyl 2-amino-1-cyclohexylpyrrolo[3,2-b]quinoxaline-3-carboxylate
SMILESCCC(C)COC(=O)c1c(N)n(C2CCCCC2)c2nc3ccccc3nc12
InChIInChI=1S/C22H28N4O2/c1-3-14(2)13-28-22(27)18-19-21(25-17-12-8-7-11-16(17)24-19)26(20(18)23)15-9-5-4-6-10-15/h7-8,11-12,14-15H,3-6,9-10,13,23H2,1-2H3
InChIKeyGXBPIBOOLRKLEI-UHFFFAOYSA-N
MW380.49 g/mol
LogP4.87
Rot. Bonds5

About 2-methylbutyl 2-amino-1-cyclohexylpyrrolo[3,2-b]quinoxaline-3-carboxylate

2-methylbutyl 2-amino-1-cyclohexylpyrrolo[3,2-b]quinoxaline-3-carboxylate (PubChem CID 3800608) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 2-methylbutyl 2-amino-1-cyclohexylpyrrolo[3,2-b]quinoxaline-3-carboxylate.

Molecular Properties

Compound Name2-methylbutyl 2-amino-1-cyclohexylpyrrolo[3,2-b]quinoxaline-3-carboxylate
PubChem CID3800608
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC Name2-methylbutyl 2-amino-1-cyclohexylpyrrolo[3,2-b]quinoxaline-3-carboxylate
SMILESCCC(C)COC(=O)c1c(N)n(C2CCCCC2)c2nc3ccccc3nc12
InChIInChI=1S/C22H28N4O2/c1-3-14(2)13-28-22(27)18-19-21(25-17-12-8-7-11-16(17)24-19)26(20(18)23)15-9-5-4-6-10-15/h7-8,11-12,14-15H,3-6,9-10,13,23H2,1-2H3
InChIKeyGXBPIBOOLRKLEI-UHFFFAOYSA-N
XLogP4.87
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-N-butan-2-yl-1-cyclohexylpyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 3742039
[(2R)-2-methylbutyl] 2-amino-1-(2-methylpropyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 7472331
2-methylbutyl 1-(4-acetylphenyl)-2-aminopyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 3796161
2-methylbutyl 2-amino-1-(3-methylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 3798420
[(2R)-2-methylbutyl] 2-amino-1-(4-butoxycarbonylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 41084912
[(2S)-2-methylbutyl] 2-amino-1-(9-ethylcarbazol-3-yl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 40852206
[(2S)-2-methylbutyl] 2-amino-1-[4-chloro-3-(trifluoromethyl)phenyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 41084902
ethyl 2-(benzenesulfonamido)-1-cyclohexylpyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 22695776
ethyl 2-amino-1-cyclohexyl-5,6,7,8-tetrahydropyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 24870959
ethyl 1-cyclohexyl-2-(3-phenylprop-2-enoylamino)pyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 3257098
[(2S)-oxolan-2-yl]methyl 2-amino-1-[(2R)-butan-2-yl]pyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 7529854
[(2R)-butan-2-yl] 2-amino-1-[(2S)-butan-2-yl]pyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 944323

Frequently Asked Questions

What is the IUPAC name of 2-methylbutyl 2-amino-1-cyclohexylpyrrolo[3,2-b]quinoxaline-3-carboxylate?
The IUPAC name of 2-methylbutyl 2-amino-1-cyclohexylpyrrolo[3,2-b]quinoxaline-3-carboxylate (CID 3800608) is 2-methylbutyl 2-amino-1-cyclohexylpyrrolo[3,2-b]quinoxaline-3-carboxylate.
What is the SMILES notation for 2-methylbutyl 2-amino-1-cyclohexylpyrrolo[3,2-b]quinoxaline-3-carboxylate?
The canonical SMILES for 2-methylbutyl 2-amino-1-cyclohexylpyrrolo[3,2-b]quinoxaline-3-carboxylate is CCC(C)COC(=O)c1c(N)n(C2CCCCC2)c2nc3ccccc3nc12.
What is the InChIKey of 2-methylbutyl 2-amino-1-cyclohexylpyrrolo[3,2-b]quinoxaline-3-carboxylate?
The InChIKey is GXBPIBOOLRKLEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-3-14(2)13-28-22(27)18-19-21(25-17-12-8-7-11-16(17)24-19)26(20(18)23)15-9-5-4-6-10-15/h7-8,11-12,14-15H,3-6,9-10,13,23H2,1-2H3.
What are the key properties of 2-methylbutyl 2-amino-1-cyclohexylpyrrolo[3,2-b]quinoxaline-3-carboxylate?
2-methylbutyl 2-amino-1-cyclohexylpyrrolo[3,2-b]quinoxaline-3-carboxylate has a molecular weight of 380.49 g/mol, XLogP of 4.87, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbutyl 2-amino-1-cyclohexylpyrrolo[3,2-b]quinoxaline-3-carboxylate is sourced from PubChem (CID 3800608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).