octyl 2-amino-1-pentylpyrrolo[3,2-b]quinoxaline-3-carboxylate

C24H34N4O2 — CID 3798847

IUPACoctyl 2-amino-1-pentylpyrrolo[3,2-b]quinoxaline-3-carboxylate
SMILESCCCCCCCCOC(=O)c1c(N)n(CCCCC)c2nc3ccccc3nc12
InChIInChI=1S/C24H34N4O2/c1-3-5-7-8-9-13-17-30-24(29)20-21-23(28(22(20)25)16-12-6-4-2)27-19-15-11-10-14-18(19)26-21/h10-11,14-15H,3-9,12-13,16-17,25H2,1-2H3
InChIKeyMEUVZOWMYHMWKO-UHFFFAOYSA-N
MW410.56 g/mol
LogP5.87
Rot. Bonds12

About octyl 2-amino-1-pentylpyrrolo[3,2-b]quinoxaline-3-carboxylate

octyl 2-amino-1-pentylpyrrolo[3,2-b]quinoxaline-3-carboxylate (PubChem CID 3798847) has the molecular formula C24H34N4O2 and a molecular weight of 410.56 g/mol. Its IUPAC name is octyl 2-amino-1-pentylpyrrolo[3,2-b]quinoxaline-3-carboxylate.

Molecular Properties

Compound Nameoctyl 2-amino-1-pentylpyrrolo[3,2-b]quinoxaline-3-carboxylate
PubChem CID3798847
Molecular FormulaC24H34N4O2
Molecular Weight410.56 g/mol
Exact Mass410.27
IUPAC Nameoctyl 2-amino-1-pentylpyrrolo[3,2-b]quinoxaline-3-carboxylate
SMILESCCCCCCCCOC(=O)c1c(N)n(CCCCC)c2nc3ccccc3nc12
InChIInChI=1S/C24H34N4O2/c1-3-5-7-8-9-13-17-30-24(29)20-21-23(28(22(20)25)16-12-6-4-2)27-19-15-11-10-14-18(19)26-21/h10-11,14-15H,3-9,12-13,16-17,25H2,1-2H3
InChIKeyMEUVZOWMYHMWKO-UHFFFAOYSA-N
XLogP5.87
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.56
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze octyl 2-amino-1-pentylpyrrolo[3,2-b]quinoxaline-3-carboxylate with MolForge

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Related Compounds

hexyl 2-amino-1-butylpyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 3721919
heptyl 2-amino-1-butylpyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 4294624
pentyl 2-amino-1-butylpyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 2384054
butyl 2-amino-1-(3-methoxypropyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 2295570
heptyl 2-amino-1-[(4-fluorophenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 3437518
nonyl 2-amino-1-[2-(3,4-dimethoxyphenyl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 3841888
octyl 2-amino-1-phenylpyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 3436221
3-(2-amino-3-ethoxycarbonylpyrrolo[3,2-b]quinoxalin-1-yl)propylazanium
CID 7062690
octyl 2-amino-1-(4-fluorophenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 3714120
ethyl 2-amino-1-[3-(furan-2-carbonyloxy)propyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 660107
hexyl 2-amino-1-(4-propoxycarbonylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 2041444
oxolan-2-ylmethyl 2-amino-1-pentylpyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 3727119

Frequently Asked Questions

What is the IUPAC name of octyl 2-amino-1-pentylpyrrolo[3,2-b]quinoxaline-3-carboxylate?
The IUPAC name of octyl 2-amino-1-pentylpyrrolo[3,2-b]quinoxaline-3-carboxylate (CID 3798847) is octyl 2-amino-1-pentylpyrrolo[3,2-b]quinoxaline-3-carboxylate.
What is the SMILES notation for octyl 2-amino-1-pentylpyrrolo[3,2-b]quinoxaline-3-carboxylate?
The canonical SMILES for octyl 2-amino-1-pentylpyrrolo[3,2-b]quinoxaline-3-carboxylate is CCCCCCCCOC(=O)c1c(N)n(CCCCC)c2nc3ccccc3nc12.
What is the InChIKey of octyl 2-amino-1-pentylpyrrolo[3,2-b]quinoxaline-3-carboxylate?
The InChIKey is MEUVZOWMYHMWKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O2/c1-3-5-7-8-9-13-17-30-24(29)20-21-23(28(22(20)25)16-12-6-4-2)27-19-15-11-10-14-18(19)26-21/h10-11,14-15H,3-9,12-13,16-17,25H2,1-2H3.
What are the key properties of octyl 2-amino-1-pentylpyrrolo[3,2-b]quinoxaline-3-carboxylate?
octyl 2-amino-1-pentylpyrrolo[3,2-b]quinoxaline-3-carboxylate has a molecular weight of 410.56 g/mol, XLogP of 5.87, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for octyl 2-amino-1-pentylpyrrolo[3,2-b]quinoxaline-3-carboxylate is sourced from PubChem (CID 3798847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).