2-amino-1-(2-morpholin-4-ylethyl)-N-pentylpyrrolo[3,2-b]quinoxaline-3-carboxamide

C22H30N6O2 — CID 3746635

IUPAC2-amino-1-(2-morpholin-4-ylethyl)-N-pentylpyrrolo[3,2-b]quinoxaline-3-carboxamide
SMILESCCCCCNC(=O)c1c(N)n(CCN2CCOCC2)c2nc3ccccc3nc12
InChIInChI=1S/C22H30N6O2/c1-2-3-6-9-24-22(29)18-19-21(26-17-8-5-4-7-16(17)25-19)28(20(18)23)11-10-27-12-14-30-15-13-27/h4-5,7-8H,2-3,6,9-15,23H2,1H3,(H,24,29)
InChIKeyJQKASEWSZTVVJE-UHFFFAOYSA-N
MW410.52 g/mol
LogP2.42
Rot. Bonds8

About 2-amino-1-(2-morpholin-4-ylethyl)-N-pentylpyrrolo[3,2-b]quinoxaline-3-carboxamide

2-amino-1-(2-morpholin-4-ylethyl)-N-pentylpyrrolo[3,2-b]quinoxaline-3-carboxamide (PubChem CID 3746635) has the molecular formula C22H30N6O2 and a molecular weight of 410.52 g/mol. Its IUPAC name is 2-amino-1-(2-morpholin-4-ylethyl)-N-pentylpyrrolo[3,2-b]quinoxaline-3-carboxamide.

Molecular Properties

Compound Name2-amino-1-(2-morpholin-4-ylethyl)-N-pentylpyrrolo[3,2-b]quinoxaline-3-carboxamide
PubChem CID3746635
Molecular FormulaC22H30N6O2
Molecular Weight410.52 g/mol
Exact Mass410.24
IUPAC Name2-amino-1-(2-morpholin-4-ylethyl)-N-pentylpyrrolo[3,2-b]quinoxaline-3-carboxamide
SMILESCCCCCNC(=O)c1c(N)n(CCN2CCOCC2)c2nc3ccccc3nc12
InChIInChI=1S/C22H30N6O2/c1-2-3-6-9-24-22(29)18-19-21(26-17-8-5-4-7-16(17)25-19)28(20(18)23)11-10-27-12-14-30-15-13-27/h4-5,7-8H,2-3,6,9-15,23H2,1H3,(H,24,29)
InChIKeyJQKASEWSZTVVJE-UHFFFAOYSA-N
XLogP2.42
TPSA98.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-amino-1-(2-morpholin-4-ylethyl)-N-phenylpyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 23855568
2-amino-N-[2-(4-methoxyphenyl)ethyl]-1-(3-morpholin-4-ylpropyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 23764711
2-amino-1-[4-(dimethylamino)phenyl]-N-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 23905948
2-amino-1-butyl-N-[2-(2-fluorophenyl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 23761862
2-amino-1-dodecyl-N-[2-(4-methoxyphenyl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 3723011
2-amino-N,1-bis(3-phenylpropyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 2015264
2-amino-N,1-bis(3-propan-2-yloxypropyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 2037496
2-amino-N-[(4-methoxyphenyl)methyl]-1-(2-piperidin-1-ylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 23994247
2-amino-1-(3-chloro-4-methylphenyl)-N-heptylpyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 2038481
1-methoxypropan-2-yl 2-amino-1-(3-morpholin-4-ylpropyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 4029243
[(2R)-1-methoxypropan-2-yl] 2-amino-1-(3-morpholin-4-ylpropyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 7707255
2-amino-1-(4-ethoxyphenyl)-N-heptylpyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 3560794

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2-morpholin-4-ylethyl)-N-pentylpyrrolo[3,2-b]quinoxaline-3-carboxamide?
The IUPAC name of 2-amino-1-(2-morpholin-4-ylethyl)-N-pentylpyrrolo[3,2-b]quinoxaline-3-carboxamide (CID 3746635) is 2-amino-1-(2-morpholin-4-ylethyl)-N-pentylpyrrolo[3,2-b]quinoxaline-3-carboxamide.
What is the SMILES notation for 2-amino-1-(2-morpholin-4-ylethyl)-N-pentylpyrrolo[3,2-b]quinoxaline-3-carboxamide?
The canonical SMILES for 2-amino-1-(2-morpholin-4-ylethyl)-N-pentylpyrrolo[3,2-b]quinoxaline-3-carboxamide is CCCCCNC(=O)c1c(N)n(CCN2CCOCC2)c2nc3ccccc3nc12.
What is the InChIKey of 2-amino-1-(2-morpholin-4-ylethyl)-N-pentylpyrrolo[3,2-b]quinoxaline-3-carboxamide?
The InChIKey is JQKASEWSZTVVJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N6O2/c1-2-3-6-9-24-22(29)18-19-21(26-17-8-5-4-7-16(17)25-19)28(20(18)23)11-10-27-12-14-30-15-13-27/h4-5,7-8H,2-3,6,9-15,23H2,1H3,(H,24,29).
What are the key properties of 2-amino-1-(2-morpholin-4-ylethyl)-N-pentylpyrrolo[3,2-b]quinoxaline-3-carboxamide?
2-amino-1-(2-morpholin-4-ylethyl)-N-pentylpyrrolo[3,2-b]quinoxaline-3-carboxamide has a molecular weight of 410.52 g/mol, XLogP of 2.42, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2-morpholin-4-ylethyl)-N-pentylpyrrolo[3,2-b]quinoxaline-3-carboxamide is sourced from PubChem (CID 3746635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).