2-N,3-N-bis(4-bromophenyl)-6-nitroquinoxaline-2,3-diamine

C20H13Br2N5O2 — CID 3534056

IUPAC2-N,3-N-bis(4-bromophenyl)-6-nitroquinoxaline-2,3-diamine
SMILESO=[N+]([O-])c1ccc2nc(Nc3ccc(Br)cc3)c(Nc3ccc(Br)cc3)nc2c1
InChIInChI=1S/C20H13Br2N5O2/c21-12-1-5-14(6-2-12)23-19-20(24-15-7-3-13(22)4-8-15)26-18-11-16(27(28)29)9-10-17(18)25-19/h1-11H,(H,23,25)(H,24,26)
InChIKeyDHAUSORYMSJREF-UHFFFAOYSA-N
MW515.17 g/mol
LogP6.55
Rot. Bonds5

About 2-N,3-N-bis(4-bromophenyl)-6-nitroquinoxaline-2,3-diamine

2-N,3-N-bis(4-bromophenyl)-6-nitroquinoxaline-2,3-diamine (PubChem CID 3534056) has the molecular formula C20H13Br2N5O2 and a molecular weight of 515.17 g/mol. Its IUPAC name is 2-N,3-N-bis(4-bromophenyl)-6-nitroquinoxaline-2,3-diamine.

Molecular Properties

Compound Name2-N,3-N-bis(4-bromophenyl)-6-nitroquinoxaline-2,3-diamine
PubChem CID3534056
Molecular FormulaC20H13Br2N5O2
Molecular Weight515.17 g/mol
Exact Mass512.94
IUPAC Name2-N,3-N-bis(4-bromophenyl)-6-nitroquinoxaline-2,3-diamine
SMILESO=[N+]([O-])c1ccc2nc(Nc3ccc(Br)cc3)c(Nc3ccc(Br)cc3)nc2c1
InChIInChI=1S/C20H13Br2N5O2/c21-12-1-5-14(6-2-12)23-19-20(24-15-7-3-13(22)4-8-15)26-18-11-16(27(28)29)9-10-17(18)25-19/h1-11H,(H,23,25)(H,24,26)
InChIKeyDHAUSORYMSJREF-UHFFFAOYSA-N
XLogP6.55
TPSA92.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.17
LogP ≤ 56.55
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-nitro-N,N'-diphenylquinoxaline-2,3-diamine
CID 3793309
(4-Fluorophenyl){3-[(4-fluorophenyl)amino]-6-nitroquinoxalin-2-yl}amine
CID 5077483
8-Nitro-5,12-dihydroquinoxalino[2,3-b]quinoxaline
CID 3775159
N2,N3-bis(4-bromophenyl)quinoxaline-2,3-diamine
CID 1579827
6-Nitro-N2,N3-bis[3-(trifluoromethyl)phenyl]quinoxaline-2,3-diamine
CID 3094160
2-N,3-N-bis(3-chlorophenyl)-6-nitroquinoxaline-2,3-diamine
CID 155458981
2-N,3-N-bis(4-chlorophenyl)-6-nitroquinoxaline-2,3-diamine
CID 155458986
6-nitro-2-N,3-N-bis(2-phenylethyl)quinoxaline-2,3-diamine
CID 155459052
6-nitro-2-N,3-N-bis[4-(trifluoromethyl)phenyl]quinoxaline-2,3-diamine
CID 155459059
6-Nitro-2,3-bis[(3-methylphenyl)imino]-1,2,3,4-tetrahydroquinoxaline
CID 3733785
2-N,3-N-dibenzyl-6-nitroquinoxaline-2,3-diamine
CID 4353869
2-N,3-N-bis(3-ethynylphenyl)-6-nitroquinoxaline-2,3-diamine
CID 130230672

Frequently Asked Questions

What is the IUPAC name of 2-N,3-N-bis(4-bromophenyl)-6-nitroquinoxaline-2,3-diamine?
The IUPAC name of 2-N,3-N-bis(4-bromophenyl)-6-nitroquinoxaline-2,3-diamine (CID 3534056) is 2-N,3-N-bis(4-bromophenyl)-6-nitroquinoxaline-2,3-diamine.
What is the SMILES notation for 2-N,3-N-bis(4-bromophenyl)-6-nitroquinoxaline-2,3-diamine?
The canonical SMILES for 2-N,3-N-bis(4-bromophenyl)-6-nitroquinoxaline-2,3-diamine is O=[N+]([O-])c1ccc2nc(Nc3ccc(Br)cc3)c(Nc3ccc(Br)cc3)nc2c1.
What is the InChIKey of 2-N,3-N-bis(4-bromophenyl)-6-nitroquinoxaline-2,3-diamine?
The InChIKey is DHAUSORYMSJREF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13Br2N5O2/c21-12-1-5-14(6-2-12)23-19-20(24-15-7-3-13(22)4-8-15)26-18-11-16(27(28)29)9-10-17(18)25-19/h1-11H,(H,23,25)(H,24,26).
What are the key properties of 2-N,3-N-bis(4-bromophenyl)-6-nitroquinoxaline-2,3-diamine?
2-N,3-N-bis(4-bromophenyl)-6-nitroquinoxaline-2,3-diamine has a molecular weight of 515.17 g/mol, XLogP of 6.55, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,3-N-bis(4-bromophenyl)-6-nitroquinoxaline-2,3-diamine is sourced from PubChem (CID 3534056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).