[(2R)-2-methylbutyl] 2-amino-1-(2-methylpropyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate

C20H26N4O2 — CID 7472331

IUPAC[(2R)-2-methylbutyl] 2-amino-1-(2-methylpropyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
SMILESCC[C@@H](C)COC(=O)c1c(N)n(CC(C)C)c2nc3ccccc3nc12
InChIInChI=1S/C20H26N4O2/c1-5-13(4)11-26-20(25)16-17-19(24(18(16)21)10-12(2)3)23-15-9-7-6-8-14(15)22-17/h6-9,12-13H,5,10-11,21H2,1-4H3/t13-/m1/s1
InChIKeyLJXNPEMLKHDBSR-CYBMUJFWSA-N
MW354.45 g/mol
LogP4.03
Rot. Bonds6

About [(2R)-2-methylbutyl] 2-amino-1-(2-methylpropyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate

[(2R)-2-methylbutyl] 2-amino-1-(2-methylpropyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate (PubChem CID 7472331) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is [(2R)-2-methylbutyl] 2-amino-1-(2-methylpropyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate.

Molecular Properties

Compound Name[(2R)-2-methylbutyl] 2-amino-1-(2-methylpropyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
PubChem CID7472331
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name[(2R)-2-methylbutyl] 2-amino-1-(2-methylpropyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
SMILESCC[C@@H](C)COC(=O)c1c(N)n(CC(C)C)c2nc3ccccc3nc12
InChIInChI=1S/C20H26N4O2/c1-5-13(4)11-26-20(25)16-17-19(24(18(16)21)10-12(2)3)23-15-9-7-6-8-14(15)22-17/h6-9,12-13H,5,10-11,21H2,1-4H3/t13-/m1/s1
InChIKeyLJXNPEMLKHDBSR-CYBMUJFWSA-N
XLogP4.03
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(2R)-2-methylbutyl] 2-amino-1-(2-methylpropyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate with MolForge

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Related Compounds

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
2-methylbutyl 2-amino-1-cyclohexylpyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 3800608
[(2S)-2-methylbutyl] 2-amino-1-(9-ethylcarbazol-3-yl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 40852206
2-methylbutyl 2-amino-1-(3-methoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 3793532
[(2R)-2-methylbutyl] 2-amino-1-(4-butoxycarbonylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 41084912
[(2S)-2-methylbutyl] 2-amino-1-[4-chloro-3-(trifluoromethyl)phenyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 41084902
[(2S)-butan-2-yl] 2-amino-1-propylpyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 943166
2-amino-N-[(2R)-6-methylheptan-2-yl]-1-(2-methylpropyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 7707899
[(2R)-butan-2-yl] 2-amino-1-prop-2-enylpyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 944403
3-(2-amino-3-ethoxycarbonylpyrrolo[3,2-b]quinoxalin-1-yl)propylazanium
CID 7062690
pentyl 2-amino-1-butylpyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 2384054

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-methylbutyl] 2-amino-1-(2-methylpropyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate?
The IUPAC name of [(2R)-2-methylbutyl] 2-amino-1-(2-methylpropyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate (CID 7472331) is [(2R)-2-methylbutyl] 2-amino-1-(2-methylpropyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate.
What is the SMILES notation for [(2R)-2-methylbutyl] 2-amino-1-(2-methylpropyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate?
The canonical SMILES for [(2R)-2-methylbutyl] 2-amino-1-(2-methylpropyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate is CC[C@@H](C)COC(=O)c1c(N)n(CC(C)C)c2nc3ccccc3nc12.
What is the InChIKey of [(2R)-2-methylbutyl] 2-amino-1-(2-methylpropyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate?
The InChIKey is LJXNPEMLKHDBSR-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-5-13(4)11-26-20(25)16-17-19(24(18(16)21)10-12(2)3)23-15-9-7-6-8-14(15)22-17/h6-9,12-13H,5,10-11,21H2,1-4H3/t13-/m1/s1.
What are the key properties of [(2R)-2-methylbutyl] 2-amino-1-(2-methylpropyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate?
[(2R)-2-methylbutyl] 2-amino-1-(2-methylpropyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate has a molecular weight of 354.45 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-methylbutyl] 2-amino-1-(2-methylpropyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate is sourced from PubChem (CID 7472331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).