2-N,3-N-bis(3,4-dichlorophenyl)quinoxaline-2,3,6-triamine

C20H13Cl4N5 — CID 155459077

IUPAC2-N,3-N-bis(3,4-dichlorophenyl)quinoxaline-2,3,6-triamine
SMILESNc1ccc2nc(Nc3ccc(Cl)c(Cl)c3)c(Nc3ccc(Cl)c(Cl)c3)nc2c1
InChIInChI=1S/C20H13Cl4N5/c21-13-4-2-11(8-15(13)23)26-19-20(27-12-3-5-14(22)16(24)9-12)29-18-7-10(25)1-6-17(18)28-19/h1-9H,25H2,(H,26,28)(H,27,29)
InChIKeyDDLIBHDQWSEAOE-UHFFFAOYSA-N
MW465.17 g/mol
LogP7.31
Rot. Bonds4

About 2-N,3-N-bis(3,4-dichlorophenyl)quinoxaline-2,3,6-triamine

2-N,3-N-bis(3,4-dichlorophenyl)quinoxaline-2,3,6-triamine (PubChem CID 155459077) has the molecular formula C20H13Cl4N5 and a molecular weight of 465.17 g/mol. Its IUPAC name is 2-N,3-N-bis(3,4-dichlorophenyl)quinoxaline-2,3,6-triamine.

Molecular Properties

Compound Name2-N,3-N-bis(3,4-dichlorophenyl)quinoxaline-2,3,6-triamine
PubChem CID155459077
Molecular FormulaC20H13Cl4N5
Molecular Weight465.17 g/mol
Exact Mass462.99
IUPAC Name2-N,3-N-bis(3,4-dichlorophenyl)quinoxaline-2,3,6-triamine
SMILESNc1ccc2nc(Nc3ccc(Cl)c(Cl)c3)c(Nc3ccc(Cl)c(Cl)c3)nc2c1
InChIInChI=1S/C20H13Cl4N5/c21-13-4-2-11(8-15(13)23)26-19-20(27-12-3-5-14(22)16(24)9-12)29-18-7-10(25)1-6-17(18)28-19/h1-9H,25H2,(H,26,28)(H,27,29)
InChIKeyDDLIBHDQWSEAOE-UHFFFAOYSA-N
XLogP7.31
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.17
LogP ≤ 57.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', '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
N-[2,3-bis(3,4-dichloroanilino)quinoxalin-6-yl]hexanamide
CID 155458998
N-[2,3-bis(3,4-dichloroanilino)quinoxalin-6-yl]acetamide
CID 155459055
Pyrido(3,2-d)pyrimidine-2,4-diamine, 6-(((3,4-dichlorophenyl)amino)methyl)-
CID 457744
6-[(3,4,5-Trichloroanilino)methyl]pyrido[3,2-d]pyrimidine-2,4-diamine
CID 457774
6-(((3,4-Dichlorophenyl)(methyl)amino)methyl)pyrido[3,2-d]pyrimidine-2,4-diamine
CID 462102
N6-(4-chlorophenyl)pyrido[3,2-d]pyrimidine-2,4,6-triamine
CID 476044
2-[(3,4-Dichloro-phenyl)amino]-3-phenyl-5,7-diaminoquinoxaline
CID 24203444
2[(3,7-Diamino quinoxaline
CID 24203445
2-[(3,4-Dichloro-phenyl)amino]-3-phenyl-5,7-dinitro-quinoxaline
CID 24796668

Frequently Asked Questions

What is the IUPAC name of 2-N,3-N-bis(3,4-dichlorophenyl)quinoxaline-2,3,6-triamine?
The IUPAC name of 2-N,3-N-bis(3,4-dichlorophenyl)quinoxaline-2,3,6-triamine (CID 155459077) is 2-N,3-N-bis(3,4-dichlorophenyl)quinoxaline-2,3,6-triamine.
What is the SMILES notation for 2-N,3-N-bis(3,4-dichlorophenyl)quinoxaline-2,3,6-triamine?
The canonical SMILES for 2-N,3-N-bis(3,4-dichlorophenyl)quinoxaline-2,3,6-triamine is Nc1ccc2nc(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)quinoxaline-2,3,6-triamine?
The InChIKey is DDLIBHDQWSEAOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13Cl4N5/c21-13-4-2-11(8-15(13)23)26-19-20(27-12-3-5-14(22)16(24)9-12)29-18-7-10(25)1-6-17(18)28-19/h1-9H,25H2,(H,26,28)(H,27,29).
What are the key properties of 2-N,3-N-bis(3,4-dichlorophenyl)quinoxaline-2,3,6-triamine?
2-N,3-N-bis(3,4-dichlorophenyl)quinoxaline-2,3,6-triamine has a molecular weight of 465.17 g/mol, XLogP of 7.31, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,3-N-bis(3,4-dichlorophenyl)quinoxaline-2,3,6-triamine is sourced from PubChem (CID 155459077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).