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

C23H18N6O2 — CID 6888628

IUPAC2-amino-1-[(E)-furan-2-ylmethylideneamino]-N-(3-methylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
SMILESCc1cccc(NC(=O)c2c(N)n(/N=C/c3ccco3)c3nc4ccccc4nc23)c1
InChIInChI=1S/C23H18N6O2/c1-14-6-4-7-15(12-14)26-23(30)19-20-22(28-18-10-3-2-9-17(18)27-20)29(21(19)24)25-13-16-8-5-11-31-16/h2-13H,24H2,1H3,(H,26,30)/b25-13+
InChIKeyYMJVBKMWKVKVHJ-DHRITJCHSA-N
MW410.44 g/mol
LogP4.20
Rot. Bonds4

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

2-amino-1-[(E)-furan-2-ylmethylideneamino]-N-(3-methylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide (PubChem CID 6888628) has the molecular formula C23H18N6O2 and a molecular weight of 410.44 g/mol. Its IUPAC name is 2-amino-1-[(E)-furan-2-ylmethylideneamino]-N-(3-methylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide.

Molecular Properties

Compound Name2-amino-1-[(E)-furan-2-ylmethylideneamino]-N-(3-methylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
PubChem CID6888628
Molecular FormulaC23H18N6O2
Molecular Weight410.44 g/mol
Exact Mass410.15
IUPAC Name2-amino-1-[(E)-furan-2-ylmethylideneamino]-N-(3-methylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
SMILESCc1cccc(NC(=O)c2c(N)n(/N=C/c3ccco3)c3nc4ccccc4nc23)c1
InChIInChI=1S/C23H18N6O2/c1-14-6-4-7-15(12-14)26-23(30)19-20-22(28-18-10-3-2-9-17(18)27-20)29(21(19)24)25-13-16-8-5-11-31-16/h2-13H,24H2,1H3,(H,26,30)/b25-13+
InChIKeyYMJVBKMWKVKVHJ-DHRITJCHSA-N
XLogP4.20
TPSA111.33 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.44
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-amino-1-[(3-chlorophenyl)methylideneamino]-N-(3-methylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 2035162
2-amino-N-(3,5-dimethylphenyl)-1-[(E)-(2-hydroxyphenyl)methylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 135649133
2-amino-N-(4-methylphenyl)-1-[(E)-(3-nitrophenyl)methylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 6868643
2-amino-N-(3,4-dimethylphenyl)-1-[(E)-(3-nitrophenyl)methylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 6869620
2-amino-N-(3-methylbutyl)-1-[(4-methylphenyl)methylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 4317659
2-amino-N-butan-2-yl-1-[(Z)-(3-hydroxyphenyl)methylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 6294704
2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-(3-methylphenyl)benzamide
CID 8874178
2-amino-N-phenyl-1-prop-2-enylpyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 659479
2-amino-N-benzyl-1-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 136841966
methyl 4-[(E)-[2-amino-3-(3-methylphenyl)sulfonylpyrrolo[3,2-b]quinoxalin-1-yl]iminomethyl]benzoate
CID 6890407
2-amino-N-butyl-1-[(E)-pyridin-2-ylmethylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 6881141
2-amino-N-benzyl-1-[(Z)-(3,4-dihydroxyphenyl)methylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 136841980

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[(E)-furan-2-ylmethylideneamino]-N-(3-methylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide?
The IUPAC name of 2-amino-1-[(E)-furan-2-ylmethylideneamino]-N-(3-methylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide (CID 6888628) is 2-amino-1-[(E)-furan-2-ylmethylideneamino]-N-(3-methylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide.
What is the SMILES notation for 2-amino-1-[(E)-furan-2-ylmethylideneamino]-N-(3-methylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide?
The canonical SMILES for 2-amino-1-[(E)-furan-2-ylmethylideneamino]-N-(3-methylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide is Cc1cccc(NC(=O)c2c(N)n(/N=C/c3ccco3)c3nc4ccccc4nc23)c1.
What is the InChIKey of 2-amino-1-[(E)-furan-2-ylmethylideneamino]-N-(3-methylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide?
The InChIKey is YMJVBKMWKVKVHJ-DHRITJCHSA-N. The full InChI is InChI=1S/C23H18N6O2/c1-14-6-4-7-15(12-14)26-23(30)19-20-22(28-18-10-3-2-9-17(18)27-20)29(21(19)24)25-13-16-8-5-11-31-16/h2-13H,24H2,1H3,(H,26,30)/b25-13+.
What are the key properties of 2-amino-1-[(E)-furan-2-ylmethylideneamino]-N-(3-methylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide?
2-amino-1-[(E)-furan-2-ylmethylideneamino]-N-(3-methylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide has a molecular weight of 410.44 g/mol, XLogP of 4.20, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[(E)-furan-2-ylmethylideneamino]-N-(3-methylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide is sourced from PubChem (CID 6888628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).