2-N,3-N-bis(3,4-dichlorophenyl)-6-nitroquinoxaline-2,3-diamine;2,3-dichloro-6-nitroquinoxaline

C28H14Cl6N8O4 — CID 159675732

IUPAC2-N,3-N-bis(3,4-dichlorophenyl)-6-nitroquinoxaline-2,3-diamine;2,3-dichloro-6-nitroquinoxaline
SMILESO=[N+]([O-])c1ccc2nc(Cl)c(Cl)nc2c1.O=[N+]([O-])c1ccc2nc(Nc3ccc(Cl)c(Cl)c3)c(Nc3ccc(Cl)c(Cl)c3)nc2c1
InChIInChI=1S/C20H11Cl4N5O2.C8H3Cl2N3O2/c21-13-4-1-10(7-15(13)23)25-19-20(26-11-2-5-14(22)16(24)8-11)28-18-9-12(29(30)31)3-6-17(18)27-19;9-7-8(10)12-6-3-4(13(14)15)1-2-5(6)11-7/h1-9H,(H,25,27)(H,26,28);1-3H
InChIKeyMUOOCCBPINOQIB-UHFFFAOYSA-N
MW739.19 g/mol
LogP10.48
Rot. Bonds6

About 2-N,3-N-bis(3,4-dichlorophenyl)-6-nitroquinoxaline-2,3-diamine;2,3-dichloro-6-nitroquinoxaline

2-N,3-N-bis(3,4-dichlorophenyl)-6-nitroquinoxaline-2,3-diamine;2,3-dichloro-6-nitroquinoxaline (PubChem CID 159675732) has the molecular formula C28H14Cl6N8O4 and a molecular weight of 739.19 g/mol. Its IUPAC name is 2-N,3-N-bis(3,4-dichlorophenyl)-6-nitroquinoxaline-2,3-diamine;2,3-dichloro-6-nitroquinoxaline.

Molecular Properties

Compound Name2-N,3-N-bis(3,4-dichlorophenyl)-6-nitroquinoxaline-2,3-diamine;2,3-dichloro-6-nitroquinoxaline
PubChem CID159675732
Molecular FormulaC28H14Cl6N8O4
Molecular Weight739.19 g/mol
Exact Mass735.93
IUPAC Name2-N,3-N-bis(3,4-dichlorophenyl)-6-nitroquinoxaline-2,3-diamine;2,3-dichloro-6-nitroquinoxaline
SMILESO=[N+]([O-])c1ccc2nc(Cl)c(Cl)nc2c1.O=[N+]([O-])c1ccc2nc(Nc3ccc(Cl)c(Cl)c3)c(Nc3ccc(Cl)c(Cl)c3)nc2c1
InChIInChI=1S/C20H11Cl4N5O2.C8H3Cl2N3O2/c21-13-4-1-10(7-15(13)23)25-19-20(26-11-2-5-14(22)16(24)8-11)28-18-9-12(29(30)31)3-6-17(18)27-19;9-7-8(10)12-6-3-4(13(14)15)1-2-5(6)11-7/h1-9H,(H,25,27)(H,26,28);1-3H
InChIKeyMUOOCCBPINOQIB-UHFFFAOYSA-N
XLogP10.48
TPSA161.90 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500739.19
LogP ≤ 510.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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-2-N,3-N-bis[3-(trifluoromethyl)phenyl]quinoxaline-2,3-diamine
CID 3094160
(Z)-3-[3-[[3-[3-[(E)-2-carboxyethenyl]anilino]-6-nitroquinoxalin-2-yl]amino]phenyl]prop-2-enoic acid
CID 99886164
3-N-(3,4-dichlorophenyl)-1-N-methyl-5-nitrobenzene-1,3-diamine
CID 80768908
1,2-dichloro-4-nitrobenzene;1,2,3-trichloro-5-nitrobenzene
CID 155677930
5-N,6-N-bis(3,4-dichlorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 3094576
5-N,6-N-bis(4-nitrophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 3123790
N-(3,4-dichlorophenyl)-5-methyl-4-nitro-1H-pyrazol-3-amine
CID 3104737
aniline;1,2-dichloro-4-nitrobenzene
CID 86084076
4-N-(3,4-dichlorophenyl)-6-N-(4-fluorophenyl)-5-nitropyrimidine-4,6-diamine
CID 23485511
N-(3,4-dichlorophenyl)-5-(3,5-dinitrophenyl)-1,3,4-thiadiazol-2-amine
CID 59994249
3,4-dichloro-N-[(3-nitrophenyl)methylideneamino]aniline
CID 78596754
(1R)-2-(3,4-dichloroanilino)-1-(4-nitrophenyl)ethanol
CID 6991040

Frequently Asked Questions

What is the IUPAC name of 2-N,3-N-bis(3,4-dichlorophenyl)-6-nitroquinoxaline-2,3-diamine;2,3-dichloro-6-nitroquinoxaline?
The IUPAC name of 2-N,3-N-bis(3,4-dichlorophenyl)-6-nitroquinoxaline-2,3-diamine;2,3-dichloro-6-nitroquinoxaline (CID 159675732) is 2-N,3-N-bis(3,4-dichlorophenyl)-6-nitroquinoxaline-2,3-diamine;2,3-dichloro-6-nitroquinoxaline.
What is the SMILES notation for 2-N,3-N-bis(3,4-dichlorophenyl)-6-nitroquinoxaline-2,3-diamine;2,3-dichloro-6-nitroquinoxaline?
The canonical SMILES for 2-N,3-N-bis(3,4-dichlorophenyl)-6-nitroquinoxaline-2,3-diamine;2,3-dichloro-6-nitroquinoxaline is O=[N+]([O-])c1ccc2nc(Cl)c(Cl)nc2c1.O=[N+]([O-])c1ccc2nc(Nc3ccc(Cl)c(Cl)c3)c(Nc3ccc(Cl)c(Cl)c3)nc2c1.
What is the InChIKey of 2-N,3-N-bis(3,4-dichlorophenyl)-6-nitroquinoxaline-2,3-diamine;2,3-dichloro-6-nitroquinoxaline?
The InChIKey is MUOOCCBPINOQIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11Cl4N5O2.C8H3Cl2N3O2/c21-13-4-1-10(7-15(13)23)25-19-20(26-11-2-5-14(22)16(24)8-11)28-18-9-12(29(30)31)3-6-17(18)27-19;9-7-8(10)12-6-3-4(13(14)15)1-2-5(6)11-7/h1-9H,(H,25,27)(H,26,28);1-3H.
What are the key properties of 2-N,3-N-bis(3,4-dichlorophenyl)-6-nitroquinoxaline-2,3-diamine;2,3-dichloro-6-nitroquinoxaline?
2-N,3-N-bis(3,4-dichlorophenyl)-6-nitroquinoxaline-2,3-diamine;2,3-dichloro-6-nitroquinoxaline has a molecular weight of 739.19 g/mol, XLogP of 10.48, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,3-N-bis(3,4-dichlorophenyl)-6-nitroquinoxaline-2,3-diamine;2,3-dichloro-6-nitroquinoxaline is sourced from PubChem (CID 159675732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).