butyl 2-amino-1-(3-methoxypropyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate

C19H24N4O3 — CID 2295570

IUPACbutyl 2-amino-1-(3-methoxypropyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
SMILESCCCCOC(=O)c1c(N)n(CCCOC)c2nc3ccccc3nc12
InChIInChI=1S/C19H24N4O3/c1-3-4-12-26-19(24)15-16-18(23(17(15)20)10-7-11-25-2)22-14-9-6-5-8-13(14)21-16/h5-6,8-9H,3-4,7,10-12,20H2,1-2H3
InChIKeyJSCKAOWWTAHPJV-UHFFFAOYSA-N
MW356.43 g/mol
LogP3.16
Rot. Bonds8

About butyl 2-amino-1-(3-methoxypropyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate

butyl 2-amino-1-(3-methoxypropyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate (PubChem CID 2295570) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is butyl 2-amino-1-(3-methoxypropyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate.

Molecular Properties

Compound Namebutyl 2-amino-1-(3-methoxypropyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
PubChem CID2295570
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Namebutyl 2-amino-1-(3-methoxypropyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
SMILESCCCCOC(=O)c1c(N)n(CCCOC)c2nc3ccccc3nc12
InChIInChI=1S/C19H24N4O3/c1-3-4-12-26-19(24)15-16-18(23(17(15)20)10-7-11-25-2)22-14-9-6-5-8-13(14)21-16/h5-6,8-9H,3-4,7,10-12,20H2,1-2H3
InChIKeyJSCKAOWWTAHPJV-UHFFFAOYSA-N
XLogP3.16
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze butyl 2-amino-1-(3-methoxypropyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate with MolForge

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Related Compounds

octyl 2-amino-1-pentylpyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 3798847
pentyl 2-amino-1-butylpyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 2384054
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
1-methoxypropan-2-yl 2-amino-1-(3-butoxypropyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 661540
ethyl 2-amino-1-[3-(furan-2-carbonyloxy)propyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 660107
3-(2-amino-3-ethoxycarbonylpyrrolo[3,2-b]quinoxalin-1-yl)propylazanium
CID 7062690
nonyl 2-amino-1-[2-(3,4-dimethoxyphenyl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 3841888
heptyl 2-amino-1-[(4-fluorophenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 3437518
methyl 2-amino-1-(2-aminoethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 937953
[(2S)-butan-2-yl] 2-amino-1-(3-propan-2-yloxypropyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 2008652
oxolan-2-ylmethyl 2-amino-1-pentylpyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 3727119

Frequently Asked Questions

What is the IUPAC name of butyl 2-amino-1-(3-methoxypropyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate?
The IUPAC name of butyl 2-amino-1-(3-methoxypropyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate (CID 2295570) is butyl 2-amino-1-(3-methoxypropyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate.
What is the SMILES notation for butyl 2-amino-1-(3-methoxypropyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate?
The canonical SMILES for butyl 2-amino-1-(3-methoxypropyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate is CCCCOC(=O)c1c(N)n(CCCOC)c2nc3ccccc3nc12.
What is the InChIKey of butyl 2-amino-1-(3-methoxypropyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate?
The InChIKey is JSCKAOWWTAHPJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-3-4-12-26-19(24)15-16-18(23(17(15)20)10-7-11-25-2)22-14-9-6-5-8-13(14)21-16/h5-6,8-9H,3-4,7,10-12,20H2,1-2H3.
What are the key properties of butyl 2-amino-1-(3-methoxypropyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate?
butyl 2-amino-1-(3-methoxypropyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate has a molecular weight of 356.43 g/mol, XLogP of 3.16, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-amino-1-(3-methoxypropyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate is sourced from PubChem (CID 2295570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).