N-(3,4-dichlorophenyl)-5,7-dinitro-3-phenylquinoxalin-2-amine

C20H11Cl2N5O4 — CID 24796668

IUPACN-(3,4-dichlorophenyl)-5,7-dinitro-3-phenylquinoxalin-2-amine
SMILESO=[N+]([O-])c1cc([N+](=O)[O-])c2nc(-c3ccccc3)c(Nc3ccc(Cl)c(Cl)c3)nc2c1
InChIInChI=1S/C20H11Cl2N5O4/c21-14-7-6-12(8-15(14)22)23-20-18(11-4-2-1-3-5-11)25-19-16(24-20)9-13(26(28)29)10-17(19)27(30)31/h1-10H,(H,23,24)
InChIKeyNUQJDIJEMIQYKK-UHFFFAOYSA-N
MW456.25 g/mol
LogP6.16
Rot. Bonds5

About N-(3,4-dichlorophenyl)-5,7-dinitro-3-phenylquinoxalin-2-amine

N-(3,4-dichlorophenyl)-5,7-dinitro-3-phenylquinoxalin-2-amine (PubChem CID 24796668) has the molecular formula C20H11Cl2N5O4 and a molecular weight of 456.25 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-5,7-dinitro-3-phenylquinoxalin-2-amine.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-5,7-dinitro-3-phenylquinoxalin-2-amine
PubChem CID24796668
Molecular FormulaC20H11Cl2N5O4
Molecular Weight456.25 g/mol
Exact Mass455.02
IUPAC NameN-(3,4-dichlorophenyl)-5,7-dinitro-3-phenylquinoxalin-2-amine
SMILESO=[N+]([O-])c1cc([N+](=O)[O-])c2nc(-c3ccccc3)c(Nc3ccc(Cl)c(Cl)c3)nc2c1
InChIInChI=1S/C20H11Cl2N5O4/c21-14-7-6-12(8-15(14)22)23-20-18(11-4-2-1-3-5-11)25-19-16(24-20)9-13(26(28)29)10-17(19)27(30)31/h1-10H,(H,23,24)
InChIKeyNUQJDIJEMIQYKK-UHFFFAOYSA-N
XLogP6.16
TPSA124.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.25
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

2,3-Bis(3,4-dichloroanilino)-6-nitroquinoxaline
CID 3113551
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
N-[2,3-bis(3,4-dichloroanilino)quinoxalin-6-yl]acetamide
CID 155459055
2-[(3,4-Dichloro-phenyl)amino]-3-phenyl-5,7-diaminoquinoxaline
CID 24203444
2[(3,7-Diamino quinoxaline
CID 24203445
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(3,4-dichlorophenyl)quinoxaline-2,3,6-triamine
CID 155459077
2-N,3-N-bis(3-ethynylphenyl)-6-nitroquinoxaline-2,3-diamine
CID 130230672
N,N'-bis(2-methylphenyl)-6-nitroquinoxaline-2,3-diamine
CID 4994519

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-5,7-dinitro-3-phenylquinoxalin-2-amine?
The IUPAC name of N-(3,4-dichlorophenyl)-5,7-dinitro-3-phenylquinoxalin-2-amine (CID 24796668) is N-(3,4-dichlorophenyl)-5,7-dinitro-3-phenylquinoxalin-2-amine.
What is the SMILES notation for N-(3,4-dichlorophenyl)-5,7-dinitro-3-phenylquinoxalin-2-amine?
The canonical SMILES for N-(3,4-dichlorophenyl)-5,7-dinitro-3-phenylquinoxalin-2-amine is O=[N+]([O-])c1cc([N+](=O)[O-])c2nc(-c3ccccc3)c(Nc3ccc(Cl)c(Cl)c3)nc2c1.
What is the InChIKey of N-(3,4-dichlorophenyl)-5,7-dinitro-3-phenylquinoxalin-2-amine?
The InChIKey is NUQJDIJEMIQYKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11Cl2N5O4/c21-14-7-6-12(8-15(14)22)23-20-18(11-4-2-1-3-5-11)25-19-16(24-20)9-13(26(28)29)10-17(19)27(30)31/h1-10H,(H,23,24).
What are the key properties of N-(3,4-dichlorophenyl)-5,7-dinitro-3-phenylquinoxalin-2-amine?
N-(3,4-dichlorophenyl)-5,7-dinitro-3-phenylquinoxalin-2-amine has a molecular weight of 456.25 g/mol, XLogP of 6.16, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-5,7-dinitro-3-phenylquinoxalin-2-amine is sourced from PubChem (CID 24796668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).