6-N-(4-bromo-2,3-dichlorophenyl)quinoline-5,6-diamine

C15H10BrCl2N3 — CID 107787021

IUPAC6-N-(4-bromo-2,3-dichlorophenyl)quinoline-5,6-diamine
SMILESNc1c(Nc2ccc(Br)c(Cl)c2Cl)ccc2ncccc12
InChIInChI=1S/C15H10BrCl2N3/c16-9-3-4-11(14(18)13(9)17)21-12-6-5-10-8(15(12)19)2-1-7-20-10/h1-7,21H,19H2
InChIKeyQOPNEISHESBKJV-UHFFFAOYSA-N
MW383.08 g/mol
LogP5.63
Rot. Bonds2

About 6-N-(4-bromo-2,3-dichlorophenyl)quinoline-5,6-diamine

6-N-(4-bromo-2,3-dichlorophenyl)quinoline-5,6-diamine (PubChem CID 107787021) has the molecular formula C15H10BrCl2N3 and a molecular weight of 383.08 g/mol. Its IUPAC name is 6-N-(4-bromo-2,3-dichlorophenyl)quinoline-5,6-diamine.

Molecular Properties

Compound Name6-N-(4-bromo-2,3-dichlorophenyl)quinoline-5,6-diamine
PubChem CID107787021
Molecular FormulaC15H10BrCl2N3
Molecular Weight383.08 g/mol
Exact Mass380.94
IUPAC Name6-N-(4-bromo-2,3-dichlorophenyl)quinoline-5,6-diamine
SMILESNc1c(Nc2ccc(Br)c(Cl)c2Cl)ccc2ncccc12
InChIInChI=1S/C15H10BrCl2N3/c16-9-3-4-11(14(18)13(9)17)21-12-6-5-10-8(15(12)19)2-1-7-20-10/h1-7,21H,19H2
InChIKeyQOPNEISHESBKJV-UHFFFAOYSA-N
XLogP5.63
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.08
LogP ≤ 55.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

6-N-(2,6-dibromophenyl)quinoline-5,6-diamine
CID 107596522
6-N-(2-bromo-4-methylphenyl)quinoline-5,6-diamine
CID 43809587
6-N-(2-bromo-6-fluorophenyl)quinoline-5,6-diamine
CID 107596683
6-N-(4-fluoro-2-iodophenyl)quinoline-5,6-diamine
CID 79769203
4-N-(4-bromo-2,3-dichlorophenyl)quinazoline-4,6-diamine
CID 107786960
6-N-(5-fluoro-2-methylphenyl)quinoline-5,6-diamine
CID 43809628
6-N-ethylquinoline-5,6-diamine
CID 43809532
6-N-cyclopropylquinoline-5,6-diamine
CID 43809527
6-N-(3-methylsulfanylphenyl)quinoline-5,6-diamine
CID 43809585
6-N-[(5-methylpyrazin-2-yl)methyl]quinoline-5,6-diamine
CID 62848085
6-N-(5-methylhexan-2-yl)quinoline-5,6-diamine
CID 63928132
2-N-(4-bromo-2,3-dichlorophenyl)-5-chloropyridine-2,3-diamine
CID 114001533

Frequently Asked Questions

What is the IUPAC name of 6-N-(4-bromo-2,3-dichlorophenyl)quinoline-5,6-diamine?
The IUPAC name of 6-N-(4-bromo-2,3-dichlorophenyl)quinoline-5,6-diamine (CID 107787021) is 6-N-(4-bromo-2,3-dichlorophenyl)quinoline-5,6-diamine.
What is the SMILES notation for 6-N-(4-bromo-2,3-dichlorophenyl)quinoline-5,6-diamine?
The canonical SMILES for 6-N-(4-bromo-2,3-dichlorophenyl)quinoline-5,6-diamine is Nc1c(Nc2ccc(Br)c(Cl)c2Cl)ccc2ncccc12.
What is the InChIKey of 6-N-(4-bromo-2,3-dichlorophenyl)quinoline-5,6-diamine?
The InChIKey is QOPNEISHESBKJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrCl2N3/c16-9-3-4-11(14(18)13(9)17)21-12-6-5-10-8(15(12)19)2-1-7-20-10/h1-7,21H,19H2.
What are the key properties of 6-N-(4-bromo-2,3-dichlorophenyl)quinoline-5,6-diamine?
6-N-(4-bromo-2,3-dichlorophenyl)quinoline-5,6-diamine has a molecular weight of 383.08 g/mol, XLogP of 5.63, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(4-bromo-2,3-dichlorophenyl)quinoline-5,6-diamine is sourced from PubChem (CID 107787021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).