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

C26H19N7O — CID 135649171

IUPAC2-amino-1-[(E)-1H-indol-3-ylmethylideneamino]-N-phenylpyrrolo[3,2-b]quinoxaline-3-carboxamide
SMILESNc1c(C(=O)Nc2ccccc2)c2nc3ccccc3nc2n1/N=C/c1c[nH]c2ccccc12
InChIInChI=1S/C26H19N7O/c27-24-22(26(34)30-17-8-2-1-3-9-17)23-25(32-21-13-7-6-12-20(21)31-23)33(24)29-15-16-14-28-19-11-5-4-10-18(16)19/h1-15,28H,27H2,(H,30,34)/b29-15+
InChIKeyNWXFUIHRLJMBFA-WKULSOCRSA-N
MW445.49 g/mol
LogP4.78
Rot. Bonds4

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

2-amino-1-[(E)-1H-indol-3-ylmethylideneamino]-N-phenylpyrrolo[3,2-b]quinoxaline-3-carboxamide (PubChem CID 135649171) has the molecular formula C26H19N7O and a molecular weight of 445.49 g/mol. Its IUPAC name is 2-amino-1-[(E)-1H-indol-3-ylmethylideneamino]-N-phenylpyrrolo[3,2-b]quinoxaline-3-carboxamide.

Molecular Properties

Compound Name2-amino-1-[(E)-1H-indol-3-ylmethylideneamino]-N-phenylpyrrolo[3,2-b]quinoxaline-3-carboxamide
PubChem CID135649171
Molecular FormulaC26H19N7O
Molecular Weight445.49 g/mol
Exact Mass445.17
IUPAC Name2-amino-1-[(E)-1H-indol-3-ylmethylideneamino]-N-phenylpyrrolo[3,2-b]quinoxaline-3-carboxamide
SMILESNc1c(C(=O)Nc2ccccc2)c2nc3ccccc3nc2n1/N=C/c1c[nH]c2ccccc12
InChIInChI=1S/C26H19N7O/c27-24-22(26(34)30-17-8-2-1-3-9-17)23-25(32-21-13-7-6-12-20(21)31-23)33(24)29-15-16-14-28-19-11-5-4-10-18(16)19/h1-15,28H,27H2,(H,30,34)/b29-15+
InChIKeyNWXFUIHRLJMBFA-WKULSOCRSA-N
XLogP4.78
TPSA113.98 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.49
LogP ≤ 54.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-amino-1-[(E)-1H-indol-3-ylmethylideneamino]-N-phenylpyrrolo[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

Related Compounds

2-amino-1-[(E)-benzylideneamino]-N-phenylpyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 6888349
2-amino-1-[(E)-1H-indol-3-ylmethylideneamino]-N-(3-methoxypropyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 135649115
2-amino-1-[(Z)-1H-indol-3-ylmethylideneamino]-N-(3-propan-2-yloxypropyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 136717945
2-amino-N-(3,5-dimethylphenyl)-1-[(E)-(2-hydroxyphenyl)methylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 135649133
3-(3,4-dimethylphenyl)sulfonyl-1-(1H-indol-3-ylmethylideneamino)pyrrolo[3,2-b]quinoxalin-2-amine
CID 2008824
2-amino-N-(2,5-dimethylphenyl)-1-[(Z)-(2-methylphenyl)methylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 6036166
2-amino-1-[(E)-furan-2-ylmethylideneamino]-N-(3-methylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 6888628
2-amino-N-cyclopentyl-1-[(E)-(2-hydroxyphenyl)methylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 135649186
2-amino-N-phenyl-1-prop-2-enylpyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 659479
2-amino-N-cyclohexyl-1-[(E)-(2-hydroxyphenyl)methylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 135629332
2-amino-N-(3,4-dimethylphenyl)-1-[(E)-(3-nitrophenyl)methylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 6869620
2-amino-1-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(2-phenylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 135649117

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[(E)-1H-indol-3-ylmethylideneamino]-N-phenylpyrrolo[3,2-b]quinoxaline-3-carboxamide?
The IUPAC name of 2-amino-1-[(E)-1H-indol-3-ylmethylideneamino]-N-phenylpyrrolo[3,2-b]quinoxaline-3-carboxamide (CID 135649171) is 2-amino-1-[(E)-1H-indol-3-ylmethylideneamino]-N-phenylpyrrolo[3,2-b]quinoxaline-3-carboxamide.
What is the SMILES notation for 2-amino-1-[(E)-1H-indol-3-ylmethylideneamino]-N-phenylpyrrolo[3,2-b]quinoxaline-3-carboxamide?
The canonical SMILES for 2-amino-1-[(E)-1H-indol-3-ylmethylideneamino]-N-phenylpyrrolo[3,2-b]quinoxaline-3-carboxamide is Nc1c(C(=O)Nc2ccccc2)c2nc3ccccc3nc2n1/N=C/c1c[nH]c2ccccc12.
What is the InChIKey of 2-amino-1-[(E)-1H-indol-3-ylmethylideneamino]-N-phenylpyrrolo[3,2-b]quinoxaline-3-carboxamide?
The InChIKey is NWXFUIHRLJMBFA-WKULSOCRSA-N. The full InChI is InChI=1S/C26H19N7O/c27-24-22(26(34)30-17-8-2-1-3-9-17)23-25(32-21-13-7-6-12-20(21)31-23)33(24)29-15-16-14-28-19-11-5-4-10-18(16)19/h1-15,28H,27H2,(H,30,34)/b29-15+.
What are the key properties of 2-amino-1-[(E)-1H-indol-3-ylmethylideneamino]-N-phenylpyrrolo[3,2-b]quinoxaline-3-carboxamide?
2-amino-1-[(E)-1H-indol-3-ylmethylideneamino]-N-phenylpyrrolo[3,2-b]quinoxaline-3-carboxamide has a molecular weight of 445.49 g/mol, XLogP of 4.78, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[(E)-1H-indol-3-ylmethylideneamino]-N-phenylpyrrolo[3,2-b]quinoxaline-3-carboxamide is sourced from PubChem (CID 135649171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).