N-(2-aminophenyl)-4-[(6H-indolo[3,2-b]quinoxalin-9-ylamino)methyl]benzamide

C28H22N6O — CID 142222386

IUPACN-(2-aminophenyl)-4-[(6H-indolo[3,2-b]quinoxalin-9-ylamino)methyl]benzamide
SMILESNc1ccccc1NC(=O)c1ccc(CNc2ccc3[nH]c4nc5ccccc5nc4c3c2)cc1
InChIInChI=1S/C28H22N6O/c29-21-5-1-2-6-23(21)34-28(35)18-11-9-17(10-12-18)16-30-19-13-14-22-20(15-19)26-27(32-22)33-25-8-4-3-7-24(25)31-26/h1-15,30H,16,29H2,(H,32,33)(H,34,35)
InChIKeyPHXWAOLWZSEVKJ-UHFFFAOYSA-N
MW458.53 g/mol
LogP5.71
Rot. Bonds5

About N-(2-aminophenyl)-4-[(6H-indolo[3,2-b]quinoxalin-9-ylamino)methyl]benzamide

N-(2-aminophenyl)-4-[(6H-indolo[3,2-b]quinoxalin-9-ylamino)methyl]benzamide (PubChem CID 142222386) has the molecular formula C28H22N6O and a molecular weight of 458.53 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-[(6H-indolo[3,2-b]quinoxalin-9-ylamino)methyl]benzamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-[(6H-indolo[3,2-b]quinoxalin-9-ylamino)methyl]benzamide
PubChem CID142222386
Molecular FormulaC28H22N6O
Molecular Weight458.53 g/mol
Exact Mass458.19
IUPAC NameN-(2-aminophenyl)-4-[(6H-indolo[3,2-b]quinoxalin-9-ylamino)methyl]benzamide
SMILESNc1ccccc1NC(=O)c1ccc(CNc2ccc3[nH]c4nc5ccccc5nc4c3c2)cc1
InChIInChI=1S/C28H22N6O/c29-21-5-1-2-6-23(21)34-28(35)18-11-9-17(10-12-18)16-30-19-13-14-22-20(15-19)26-27(32-22)33-25-8-4-3-7-24(25)31-26/h1-15,30H,16,29H2,(H,32,33)(H,34,35)
InChIKeyPHXWAOLWZSEVKJ-UHFFFAOYSA-N
XLogP5.71
TPSA108.72 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.53
LogP ≤ 55.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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CID 22478639
N-(2-aminophenyl)-4-[(3-methoxyanilino)methyl]benzamide
CID 22478895
4-[[(6-amino-1,3-benzothiazol-2-yl)amino]methyl]-N-(2-aminophenyl)benzamide
CID 87079051
N-(2-aminophenyl)-4-[[(2-phenylacetyl)amino]methyl]benzamide
CID 11348920
N-(2-aminophenyl)-4-[[[1,3-dioxo-2-(pyridin-3-ylmethyl)isoindol-5-yl]amino]methyl]benzamide
CID 58930493
N-(2-aminophenyl)-4-[[(2,6-dimethoxypyrimidin-4-yl)amino]methyl]benzamide
CID 22478791
4-[[[4-amino-6-(2,3-dihydro-1H-inden-2-ylamino)-1,3,5-triazin-2-yl]amino]methyl]-N-(2-aminophenyl)benzamide
CID 22478847
N-(2-aminophenyl)-4-(hydroxyamino)benzamide
CID 155418611
N-(2-aminophenyl)-4-[[(2-benzamidoacetyl)amino]methyl]benzamide
CID 141261205
N-(2-aminophenyl)-4-(2,2-dimethylpropyl)benzamide
CID 58916411
N-(2-aminophenyl)-4-[[3-[[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]amino]anilino]methyl]benzamide
CID 166068665

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-[(6H-indolo[3,2-b]quinoxalin-9-ylamino)methyl]benzamide?
The IUPAC name of N-(2-aminophenyl)-4-[(6H-indolo[3,2-b]quinoxalin-9-ylamino)methyl]benzamide (CID 142222386) is N-(2-aminophenyl)-4-[(6H-indolo[3,2-b]quinoxalin-9-ylamino)methyl]benzamide.
What is the SMILES notation for N-(2-aminophenyl)-4-[(6H-indolo[3,2-b]quinoxalin-9-ylamino)methyl]benzamide?
The canonical SMILES for N-(2-aminophenyl)-4-[(6H-indolo[3,2-b]quinoxalin-9-ylamino)methyl]benzamide is Nc1ccccc1NC(=O)c1ccc(CNc2ccc3[nH]c4nc5ccccc5nc4c3c2)cc1.
What is the InChIKey of N-(2-aminophenyl)-4-[(6H-indolo[3,2-b]quinoxalin-9-ylamino)methyl]benzamide?
The InChIKey is PHXWAOLWZSEVKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22N6O/c29-21-5-1-2-6-23(21)34-28(35)18-11-9-17(10-12-18)16-30-19-13-14-22-20(15-19)26-27(32-22)33-25-8-4-3-7-24(25)31-26/h1-15,30H,16,29H2,(H,32,33)(H,34,35).
What are the key properties of N-(2-aminophenyl)-4-[(6H-indolo[3,2-b]quinoxalin-9-ylamino)methyl]benzamide?
N-(2-aminophenyl)-4-[(6H-indolo[3,2-b]quinoxalin-9-ylamino)methyl]benzamide has a molecular weight of 458.53 g/mol, XLogP of 5.71, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-4-[(6H-indolo[3,2-b]quinoxalin-9-ylamino)methyl]benzamide is sourced from PubChem (CID 142222386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).