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

C20H19N7O2 — CID 6880677

IUPAC2-amino-N-(2-methoxyethyl)-1-[(E)-pyridin-3-ylmethylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide
SMILESCOCCNC(=O)c1c(N)n(/N=C/c2cccnc2)c2nc3ccccc3nc12
InChIInChI=1S/C20H19N7O2/c1-29-10-9-23-20(28)16-17-19(26-15-7-3-2-6-14(15)25-17)27(18(16)21)24-12-13-5-4-8-22-11-13/h2-8,11-12H,9-10,21H2,1H3,(H,23,28)/b24-12+
InChIKeyIRWPVWPOAHJDNT-WYMPLXKRSA-N
MW389.42 g/mol
LogP1.82
Rot. Bonds6

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

2-amino-N-(2-methoxyethyl)-1-[(E)-pyridin-3-ylmethylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide (PubChem CID 6880677) has the molecular formula C20H19N7O2 and a molecular weight of 389.42 g/mol. Its IUPAC name is 2-amino-N-(2-methoxyethyl)-1-[(E)-pyridin-3-ylmethylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-(2-methoxyethyl)-1-[(E)-pyridin-3-ylmethylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide
PubChem CID6880677
Molecular FormulaC20H19N7O2
Molecular Weight389.42 g/mol
Exact Mass389.16
IUPAC Name2-amino-N-(2-methoxyethyl)-1-[(E)-pyridin-3-ylmethylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide
SMILESCOCCNC(=O)c1c(N)n(/N=C/c2cccnc2)c2nc3ccccc3nc12
InChIInChI=1S/C20H19N7O2/c1-29-10-9-23-20(28)16-17-19(26-15-7-3-2-6-14(15)25-17)27(18(16)21)24-12-13-5-4-8-22-11-13/h2-8,11-12H,9-10,21H2,1H3,(H,23,28)/b24-12+
InChIKeyIRWPVWPOAHJDNT-WYMPLXKRSA-N
XLogP1.82
TPSA120.31 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.42
LogP ≤ 51.82
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-methoxyethyl)-1-[(E)-pyridin-3-ylmethylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide?
The IUPAC name of 2-amino-N-(2-methoxyethyl)-1-[(E)-pyridin-3-ylmethylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide (CID 6880677) is 2-amino-N-(2-methoxyethyl)-1-[(E)-pyridin-3-ylmethylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide.
What is the SMILES notation for 2-amino-N-(2-methoxyethyl)-1-[(E)-pyridin-3-ylmethylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide?
The canonical SMILES for 2-amino-N-(2-methoxyethyl)-1-[(E)-pyridin-3-ylmethylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide is COCCNC(=O)c1c(N)n(/N=C/c2cccnc2)c2nc3ccccc3nc12.
What is the InChIKey of 2-amino-N-(2-methoxyethyl)-1-[(E)-pyridin-3-ylmethylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide?
The InChIKey is IRWPVWPOAHJDNT-WYMPLXKRSA-N. The full InChI is InChI=1S/C20H19N7O2/c1-29-10-9-23-20(28)16-17-19(26-15-7-3-2-6-14(15)25-17)27(18(16)21)24-12-13-5-4-8-22-11-13/h2-8,11-12H,9-10,21H2,1H3,(H,23,28)/b24-12+.
What are the key properties of 2-amino-N-(2-methoxyethyl)-1-[(E)-pyridin-3-ylmethylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide?
2-amino-N-(2-methoxyethyl)-1-[(E)-pyridin-3-ylmethylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide has a molecular weight of 389.42 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-methoxyethyl)-1-[(E)-pyridin-3-ylmethylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide is sourced from PubChem (CID 6880677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).