2-amino-N-pentyl-1-[(3,4,5-trimethoxyphenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide

C26H31N5O4 — CID 3585300

IUPAC2-amino-N-pentyl-1-[(3,4,5-trimethoxyphenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide
SMILESCCCCCNC(=O)c1c(N)n(Cc2cc(OC)c(OC)c(OC)c2)c2nc3ccccc3nc12
InChIInChI=1S/C26H31N5O4/c1-5-6-9-12-28-26(32)21-22-25(30-18-11-8-7-10-17(18)29-22)31(24(21)27)15-16-13-19(33-2)23(35-4)20(14-16)34-3/h7-8,10-11,13-14H,5-6,9,12,15,27H2,1-4H3,(H,28,32)
InChIKeyGPWRNZVLXABAJM-UHFFFAOYSA-N
MW477.57 g/mol
LogP4.16
Rot. Bonds10

About 2-amino-N-pentyl-1-[(3,4,5-trimethoxyphenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide

2-amino-N-pentyl-1-[(3,4,5-trimethoxyphenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide (PubChem CID 3585300) has the molecular formula C26H31N5O4 and a molecular weight of 477.57 g/mol. Its IUPAC name is 2-amino-N-pentyl-1-[(3,4,5-trimethoxyphenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-pentyl-1-[(3,4,5-trimethoxyphenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide
PubChem CID3585300
Molecular FormulaC26H31N5O4
Molecular Weight477.57 g/mol
Exact Mass477.24
IUPAC Name2-amino-N-pentyl-1-[(3,4,5-trimethoxyphenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide
SMILESCCCCCNC(=O)c1c(N)n(Cc2cc(OC)c(OC)c(OC)c2)c2nc3ccccc3nc12
InChIInChI=1S/C26H31N5O4/c1-5-6-9-12-28-26(32)21-22-25(30-18-11-8-7-10-17(18)29-22)31(24(21)27)15-16-13-19(33-2)23(35-4)20(14-16)34-3/h7-8,10-11,13-14H,5-6,9,12,15,27H2,1-4H3,(H,28,32)
InChIKeyGPWRNZVLXABAJM-UHFFFAOYSA-N
XLogP4.16
TPSA113.52 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.57
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-amino-N-pentyl-1-[(3,4,5-trimethoxyphenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide with MolForge

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Related Compounds

2-amino-1-dodecyl-N-[2-(4-methoxyphenyl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 3723011
2-amino-1-(2-morpholin-4-ylethyl)-N-pentylpyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 3746635
2-amino-N,1-bis[2-(3,4-dimethoxyphenyl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 1398575
2-amino-1-[(2-methoxyphenyl)methyl]-N-(3-propan-2-yloxypropyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 2003032
2-amino-1-[(3,4-dimethoxyphenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 41080987
2-amino-1-(1,3-benzodioxol-5-ylmethyl)-N-[2-(4-methoxyphenyl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 2001714
2-amino-1-(3-butoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 3436686
2-amino-N,1-bis(3-phenylpropyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 2015264
2-amino-1-(4-ethoxyphenyl)-N-heptylpyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 3560794
2-amino-1-butyl-N-[2-(2-fluorophenyl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 23761862
2-amino-1-(3-chloro-4-methylphenyl)-N-heptylpyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 2038481
nonyl 2-amino-1-[2-(3,4-dimethoxyphenyl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 3841888

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-pentyl-1-[(3,4,5-trimethoxyphenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide?
The IUPAC name of 2-amino-N-pentyl-1-[(3,4,5-trimethoxyphenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide (CID 3585300) is 2-amino-N-pentyl-1-[(3,4,5-trimethoxyphenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide.
What is the SMILES notation for 2-amino-N-pentyl-1-[(3,4,5-trimethoxyphenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide?
The canonical SMILES for 2-amino-N-pentyl-1-[(3,4,5-trimethoxyphenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide is CCCCCNC(=O)c1c(N)n(Cc2cc(OC)c(OC)c(OC)c2)c2nc3ccccc3nc12.
What is the InChIKey of 2-amino-N-pentyl-1-[(3,4,5-trimethoxyphenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide?
The InChIKey is GPWRNZVLXABAJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O4/c1-5-6-9-12-28-26(32)21-22-25(30-18-11-8-7-10-17(18)29-22)31(24(21)27)15-16-13-19(33-2)23(35-4)20(14-16)34-3/h7-8,10-11,13-14H,5-6,9,12,15,27H2,1-4H3,(H,28,32).
What are the key properties of 2-amino-N-pentyl-1-[(3,4,5-trimethoxyphenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide?
2-amino-N-pentyl-1-[(3,4,5-trimethoxyphenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide has a molecular weight of 477.57 g/mol, XLogP of 4.16, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-pentyl-1-[(3,4,5-trimethoxyphenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide is sourced from PubChem (CID 3585300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).