6-N-(2,6-dibromophenyl)quinoline-5,6-diamine

C15H11Br2N3 — CID 107596522

IUPAC6-N-(2,6-dibromophenyl)quinoline-5,6-diamine
SMILESNc1c(Nc2c(Br)cccc2Br)ccc2ncccc12
InChIInChI=1S/C15H11Br2N3/c16-10-4-1-5-11(17)15(10)20-13-7-6-12-9(14(13)18)3-2-8-19-12/h1-8,20H,18H2
InChIKeyZZVZSUOQKTZUKZ-UHFFFAOYSA-N
MW393.08 g/mol
LogP5.09
Rot. Bonds2

About 6-N-(2,6-dibromophenyl)quinoline-5,6-diamine

6-N-(2,6-dibromophenyl)quinoline-5,6-diamine (PubChem CID 107596522) has the molecular formula C15H11Br2N3 and a molecular weight of 393.08 g/mol. Its IUPAC name is 6-N-(2,6-dibromophenyl)quinoline-5,6-diamine.

Molecular Properties

Compound Name6-N-(2,6-dibromophenyl)quinoline-5,6-diamine
PubChem CID107596522
Molecular FormulaC15H11Br2N3
Molecular Weight393.08 g/mol
Exact Mass390.93
IUPAC Name6-N-(2,6-dibromophenyl)quinoline-5,6-diamine
SMILESNc1c(Nc2c(Br)cccc2Br)ccc2ncccc12
InChIInChI=1S/C15H11Br2N3/c16-10-4-1-5-11(17)15(10)20-13-7-6-12-9(14(13)18)3-2-8-19-12/h1-8,20H,18H2
InChIKeyZZVZSUOQKTZUKZ-UHFFFAOYSA-N
XLogP5.09
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.08
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

6-N-(2-bromo-6-fluorophenyl)quinoline-5,6-diamine
CID 107596683
6-N-(4-bromo-2,3-dichlorophenyl)quinoline-5,6-diamine
CID 107787021
6-N-(2-bromo-4-methylphenyl)quinoline-5,6-diamine
CID 43809587
6-N-(3-methylsulfanylphenyl)quinoline-5,6-diamine
CID 43809585
6-N-ethylquinoline-5,6-diamine
CID 43809532
6-N-cyclopropylquinoline-5,6-diamine
CID 43809527
6-N-(4-fluoro-2-iodophenyl)quinoline-5,6-diamine
CID 79769203
6-N-(5-fluoro-2-methylphenyl)quinoline-5,6-diamine
CID 43809628
6-(2-bromophenyl)sulfanylquinolin-5-amine
CID 43809931
6-N-prop-2-enylquinoline-5,6-diamine
CID 62500024
6-N-(3,3-dimethylbutyl)quinoline-5,6-diamine
CID 89050951
5-bromoquinoline;ethane
CID 142484600

Frequently Asked Questions

What is the IUPAC name of 6-N-(2,6-dibromophenyl)quinoline-5,6-diamine?
The IUPAC name of 6-N-(2,6-dibromophenyl)quinoline-5,6-diamine (CID 107596522) is 6-N-(2,6-dibromophenyl)quinoline-5,6-diamine.
What is the SMILES notation for 6-N-(2,6-dibromophenyl)quinoline-5,6-diamine?
The canonical SMILES for 6-N-(2,6-dibromophenyl)quinoline-5,6-diamine is Nc1c(Nc2c(Br)cccc2Br)ccc2ncccc12.
What is the InChIKey of 6-N-(2,6-dibromophenyl)quinoline-5,6-diamine?
The InChIKey is ZZVZSUOQKTZUKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Br2N3/c16-10-4-1-5-11(17)15(10)20-13-7-6-12-9(14(13)18)3-2-8-19-12/h1-8,20H,18H2.
What are the key properties of 6-N-(2,6-dibromophenyl)quinoline-5,6-diamine?
6-N-(2,6-dibromophenyl)quinoline-5,6-diamine has a molecular weight of 393.08 g/mol, XLogP of 5.09, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2,6-dibromophenyl)quinoline-5,6-diamine is sourced from PubChem (CID 107596522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).