6-nitro-2-N,3-N-bis(2-phenylethyl)quinoxaline-2,3-diamine

C24H23N5O2 — CID 155459052

IUPAC6-nitro-2-N,3-N-bis(2-phenylethyl)quinoxaline-2,3-diamine
SMILESO=[N+]([O-])c1ccc2nc(NCCc3ccccc3)c(NCCc3ccccc3)nc2c1
InChIInChI=1S/C24H23N5O2/c30-29(31)20-11-12-21-22(17-20)28-24(26-16-14-19-9-5-2-6-10-19)23(27-21)25-15-13-18-7-3-1-4-8-18/h1-12,17H,13-16H2,(H,25,27)(H,26,28)
InChIKeyPMCMVPKLNOVHTA-UHFFFAOYSA-N
MW413.48 g/mol
LogP4.85
Rot. Bonds9

About 6-nitro-2-N,3-N-bis(2-phenylethyl)quinoxaline-2,3-diamine

6-nitro-2-N,3-N-bis(2-phenylethyl)quinoxaline-2,3-diamine (PubChem CID 155459052) has the molecular formula C24H23N5O2 and a molecular weight of 413.48 g/mol. Its IUPAC name is 6-nitro-2-N,3-N-bis(2-phenylethyl)quinoxaline-2,3-diamine.

Molecular Properties

Compound Name6-nitro-2-N,3-N-bis(2-phenylethyl)quinoxaline-2,3-diamine
PubChem CID155459052
Molecular FormulaC24H23N5O2
Molecular Weight413.48 g/mol
Exact Mass413.19
IUPAC Name6-nitro-2-N,3-N-bis(2-phenylethyl)quinoxaline-2,3-diamine
SMILESO=[N+]([O-])c1ccc2nc(NCCc3ccccc3)c(NCCc3ccccc3)nc2c1
InChIInChI=1S/C24H23N5O2/c30-29(31)20-11-12-21-22(17-20)28-24(26-16-14-19-9-5-2-6-10-19)23(27-21)25-15-13-18-7-3-1-4-8-18/h1-12,17H,13-16H2,(H,25,27)(H,26,28)
InChIKeyPMCMVPKLNOVHTA-UHFFFAOYSA-N
XLogP4.85
TPSA92.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-Nitroquipazine
CID 5012
N-[2-(4-methylpiperazin-1-yl)quinazolin-4-yl]-N'-(4-nitrophenyl)ethane-1,2-diamine
CID 2955894
2-[1,4]Diazepan-1-yl-6-nitro-quinoline
CID 10445930
2-(3-Methyl-piperazin-1-yl)-6-nitro-quinoline
CID 44286607
6-Nitro-2-piperazin-1-yl-4-vinyl-quinoline
CID 44379685
4-Benzyl-6-nitro-2-piperazin-1-yl-quinoline
CID 44379687
3-(3-Fluoro-propyl)-6-nitro-2-piperazin-1-yl-quinoline
CID 10336017
N-benzyl-2-(3-nitrophenyl)quinazolin-4-amine
CID 2927831
6-nitro-N,N'-diphenylquinoxaline-2,3-diamine
CID 3793309
(4-Fluorophenyl){3-[(4-fluorophenyl)amino]-6-nitroquinoxalin-2-yl}amine
CID 5077483
2,3-Diphenyl-6-nitroquinoxaline
CID 345194
6,8-Dinitro-2-piperazin-1-yl-quinoline
CID 12044726

Frequently Asked Questions

What is the IUPAC name of 6-nitro-2-N,3-N-bis(2-phenylethyl)quinoxaline-2,3-diamine?
The IUPAC name of 6-nitro-2-N,3-N-bis(2-phenylethyl)quinoxaline-2,3-diamine (CID 155459052) is 6-nitro-2-N,3-N-bis(2-phenylethyl)quinoxaline-2,3-diamine.
What is the SMILES notation for 6-nitro-2-N,3-N-bis(2-phenylethyl)quinoxaline-2,3-diamine?
The canonical SMILES for 6-nitro-2-N,3-N-bis(2-phenylethyl)quinoxaline-2,3-diamine is O=[N+]([O-])c1ccc2nc(NCCc3ccccc3)c(NCCc3ccccc3)nc2c1.
What is the InChIKey of 6-nitro-2-N,3-N-bis(2-phenylethyl)quinoxaline-2,3-diamine?
The InChIKey is PMCMVPKLNOVHTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O2/c30-29(31)20-11-12-21-22(17-20)28-24(26-16-14-19-9-5-2-6-10-19)23(27-21)25-15-13-18-7-3-1-4-8-18/h1-12,17H,13-16H2,(H,25,27)(H,26,28).
What are the key properties of 6-nitro-2-N,3-N-bis(2-phenylethyl)quinoxaline-2,3-diamine?
6-nitro-2-N,3-N-bis(2-phenylethyl)quinoxaline-2,3-diamine has a molecular weight of 413.48 g/mol, XLogP of 4.85, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-nitro-2-N,3-N-bis(2-phenylethyl)quinoxaline-2,3-diamine is sourced from PubChem (CID 155459052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).