2-amino-N-(3-methoxypropyl)-1-[(E)-pyridin-3-ylmethylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide

C21H21N7O2 — CID 6881015

IUPAC2-amino-N-(3-methoxypropyl)-1-[(E)-pyridin-3-ylmethylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide
SMILESCOCCCNC(=O)c1c(N)n(/N=C/c2cccnc2)c2nc3ccccc3nc12
InChIInChI=1S/C21H21N7O2/c1-30-11-5-10-24-21(29)17-18-20(27-16-8-3-2-7-15(16)26-18)28(19(17)22)25-13-14-6-4-9-23-12-14/h2-4,6-9,12-13H,5,10-11,22H2,1H3,(H,24,29)/b25-13+
InChIKeyDWGMIRCNXBJFEY-DHRITJCHSA-N
MW403.45 g/mol
LogP2.21
Rot. Bonds7

About 2-amino-N-(3-methoxypropyl)-1-[(E)-pyridin-3-ylmethylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide

2-amino-N-(3-methoxypropyl)-1-[(E)-pyridin-3-ylmethylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide (PubChem CID 6881015) has the molecular formula C21H21N7O2 and a molecular weight of 403.45 g/mol. Its IUPAC name is 2-amino-N-(3-methoxypropyl)-1-[(E)-pyridin-3-ylmethylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-(3-methoxypropyl)-1-[(E)-pyridin-3-ylmethylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide
PubChem CID6881015
Molecular FormulaC21H21N7O2
Molecular Weight403.45 g/mol
Exact Mass403.18
IUPAC Name2-amino-N-(3-methoxypropyl)-1-[(E)-pyridin-3-ylmethylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide
SMILESCOCCCNC(=O)c1c(N)n(/N=C/c2cccnc2)c2nc3ccccc3nc12
InChIInChI=1S/C21H21N7O2/c1-30-11-5-10-24-21(29)17-18-20(27-16-8-3-2-7-15(16)26-18)28(19(17)22)25-13-14-6-4-9-23-12-14/h2-4,6-9,12-13H,5,10-11,22H2,1H3,(H,24,29)/b25-13+
InChIKeyDWGMIRCNXBJFEY-DHRITJCHSA-N
XLogP2.21
TPSA120.31 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.45
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-amino-N-(3-methoxypropyl)-1-[(E)-pyridin-3-ylmethylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-methoxypropyl)-1-[(E)-pyridin-3-ylmethylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide?
The IUPAC name of 2-amino-N-(3-methoxypropyl)-1-[(E)-pyridin-3-ylmethylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide (CID 6881015) is 2-amino-N-(3-methoxypropyl)-1-[(E)-pyridin-3-ylmethylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide.
What is the SMILES notation for 2-amino-N-(3-methoxypropyl)-1-[(E)-pyridin-3-ylmethylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide?
The canonical SMILES for 2-amino-N-(3-methoxypropyl)-1-[(E)-pyridin-3-ylmethylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide is COCCCNC(=O)c1c(N)n(/N=C/c2cccnc2)c2nc3ccccc3nc12.
What is the InChIKey of 2-amino-N-(3-methoxypropyl)-1-[(E)-pyridin-3-ylmethylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide?
The InChIKey is DWGMIRCNXBJFEY-DHRITJCHSA-N. The full InChI is InChI=1S/C21H21N7O2/c1-30-11-5-10-24-21(29)17-18-20(27-16-8-3-2-7-15(16)26-18)28(19(17)22)25-13-14-6-4-9-23-12-14/h2-4,6-9,12-13H,5,10-11,22H2,1H3,(H,24,29)/b25-13+.
What are the key properties of 2-amino-N-(3-methoxypropyl)-1-[(E)-pyridin-3-ylmethylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide?
2-amino-N-(3-methoxypropyl)-1-[(E)-pyridin-3-ylmethylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide has a molecular weight of 403.45 g/mol, XLogP of 2.21, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-methoxypropyl)-1-[(E)-pyridin-3-ylmethylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide is sourced from PubChem (CID 6881015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).