2-amino-1-[(E)-benzylideneamino]-N-phenylpyrrolo[3,2-b]quinoxaline-3-carboxamide

C24H18N6O — CID 6888349

IUPAC2-amino-1-[(E)-benzylideneamino]-N-phenylpyrrolo[3,2-b]quinoxaline-3-carboxamide
SMILESNc1c(C(=O)Nc2ccccc2)c2nc3ccccc3nc2n1/N=C/c1ccccc1
InChIInChI=1S/C24H18N6O/c25-22-20(24(31)27-17-11-5-2-6-12-17)21-23(29-19-14-8-7-13-18(19)28-21)30(22)26-15-16-9-3-1-4-10-16/h1-15H,25H2,(H,27,31)/b26-15+
InChIKeyNPSDXTICHXMVRW-CVKSISIWSA-N
MW406.45 g/mol
LogP4.30
Rot. Bonds4

About 2-amino-1-[(E)-benzylideneamino]-N-phenylpyrrolo[3,2-b]quinoxaline-3-carboxamide

2-amino-1-[(E)-benzylideneamino]-N-phenylpyrrolo[3,2-b]quinoxaline-3-carboxamide (PubChem CID 6888349) has the molecular formula C24H18N6O and a molecular weight of 406.45 g/mol. Its IUPAC name is 2-amino-1-[(E)-benzylideneamino]-N-phenylpyrrolo[3,2-b]quinoxaline-3-carboxamide.

Molecular Properties

Compound Name2-amino-1-[(E)-benzylideneamino]-N-phenylpyrrolo[3,2-b]quinoxaline-3-carboxamide
PubChem CID6888349
Molecular FormulaC24H18N6O
Molecular Weight406.45 g/mol
Exact Mass406.15
IUPAC Name2-amino-1-[(E)-benzylideneamino]-N-phenylpyrrolo[3,2-b]quinoxaline-3-carboxamide
SMILESNc1c(C(=O)Nc2ccccc2)c2nc3ccccc3nc2n1/N=C/c1ccccc1
InChIInChI=1S/C24H18N6O/c25-22-20(24(31)27-17-11-5-2-6-12-17)21-23(29-19-14-8-7-13-18(19)28-21)30(22)26-15-16-9-3-1-4-10-16/h1-15H,25H2,(H,27,31)/b26-15+
InChIKeyNPSDXTICHXMVRW-CVKSISIWSA-N
XLogP4.30
TPSA98.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.45
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-amino-1-[(E)-1H-indol-3-ylmethylideneamino]-N-phenylpyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 135649171
2-amino-N-(4-methylphenyl)-1-[(E)-(3-nitrophenyl)methylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 6868643
2-amino-1-[(E)-(4-ethoxyphenyl)methylideneamino]-N-(4-methylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 6889289
2-amino-N-(3,4-dimethylphenyl)-1-[(E)-(3-nitrophenyl)methylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 6869620
2-amino-N-(3,5-dimethylphenyl)-1-[(E)-(2-hydroxyphenyl)methylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 135649133
2-amino-1-[(E)-furan-2-ylmethylideneamino]-N-(3-methylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 6888628
2-amino-N-benzyl-1-[(E)-(3-bromophenyl)methylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 6880839
2-amino-1-[(E)-benzylideneamino]-N-[2-(cyclohexen-1-yl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 6888994
2-amino-1-[(E)-(4-chlorophenyl)methylideneamino]-N-cyclopentylpyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 6881432
methyl 4-[(E)-[2-amino-3-(benzylcarbamoyl)pyrrolo[3,2-b]quinoxalin-1-yl]iminomethyl]benzoate
CID 6880684
2-amino-1-[(4-methylphenyl)methylideneamino]-N-pentylpyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 3806719
2-amino-N-butyl-1-[(E)-(4-fluorophenyl)methylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 6880717

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[(E)-benzylideneamino]-N-phenylpyrrolo[3,2-b]quinoxaline-3-carboxamide?
The IUPAC name of 2-amino-1-[(E)-benzylideneamino]-N-phenylpyrrolo[3,2-b]quinoxaline-3-carboxamide (CID 6888349) is 2-amino-1-[(E)-benzylideneamino]-N-phenylpyrrolo[3,2-b]quinoxaline-3-carboxamide.
What is the SMILES notation for 2-amino-1-[(E)-benzylideneamino]-N-phenylpyrrolo[3,2-b]quinoxaline-3-carboxamide?
The canonical SMILES for 2-amino-1-[(E)-benzylideneamino]-N-phenylpyrrolo[3,2-b]quinoxaline-3-carboxamide is Nc1c(C(=O)Nc2ccccc2)c2nc3ccccc3nc2n1/N=C/c1ccccc1.
What is the InChIKey of 2-amino-1-[(E)-benzylideneamino]-N-phenylpyrrolo[3,2-b]quinoxaline-3-carboxamide?
The InChIKey is NPSDXTICHXMVRW-CVKSISIWSA-N. The full InChI is InChI=1S/C24H18N6O/c25-22-20(24(31)27-17-11-5-2-6-12-17)21-23(29-19-14-8-7-13-18(19)28-21)30(22)26-15-16-9-3-1-4-10-16/h1-15H,25H2,(H,27,31)/b26-15+.
What are the key properties of 2-amino-1-[(E)-benzylideneamino]-N-phenylpyrrolo[3,2-b]quinoxaline-3-carboxamide?
2-amino-1-[(E)-benzylideneamino]-N-phenylpyrrolo[3,2-b]quinoxaline-3-carboxamide has a molecular weight of 406.45 g/mol, XLogP of 4.30, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[(E)-benzylideneamino]-N-phenylpyrrolo[3,2-b]quinoxaline-3-carboxamide is sourced from PubChem (CID 6888349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).