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

C16H14BrN3 — CID 43809587

IUPAC6-N-(2-bromo-4-methylphenyl)quinoline-5,6-diamine
SMILESCc1ccc(Nc2ccc3ncccc3c2N)c(Br)c1
InChIInChI=1S/C16H14BrN3/c1-10-4-5-14(12(17)9-10)20-15-7-6-13-11(16(15)18)3-2-8-19-13/h2-9,20H,18H2,1H3
InChIKeyWWOFVPSCRWYLLL-UHFFFAOYSA-N
MW328.21 g/mol
LogP4.63
Rot. Bonds2

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

6-N-(2-bromo-4-methylphenyl)quinoline-5,6-diamine (PubChem CID 43809587) has the molecular formula C16H14BrN3 and a molecular weight of 328.21 g/mol. Its IUPAC name is 6-N-(2-bromo-4-methylphenyl)quinoline-5,6-diamine.

Molecular Properties

Compound Name6-N-(2-bromo-4-methylphenyl)quinoline-5,6-diamine
PubChem CID43809587
Molecular FormulaC16H14BrN3
Molecular Weight328.21 g/mol
Exact Mass327.04
IUPAC Name6-N-(2-bromo-4-methylphenyl)quinoline-5,6-diamine
SMILESCc1ccc(Nc2ccc3ncccc3c2N)c(Br)c1
InChIInChI=1S/C16H14BrN3/c1-10-4-5-14(12(17)9-10)20-15-7-6-13-11(16(15)18)3-2-8-19-13/h2-9,20H,18H2,1H3
InChIKeyWWOFVPSCRWYLLL-UHFFFAOYSA-N
XLogP4.63
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 54.63
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

8-N-(2-bromo-4-methylphenyl)quinoline-5,8-diamine
CID 43450156
6-N-(2,6-dibromophenyl)quinoline-5,6-diamine
CID 107596522
6-N-(4-bromo-2,3-dichlorophenyl)quinoline-5,6-diamine
CID 107787021
6-N-(5-fluoro-2-methylphenyl)quinoline-5,6-diamine
CID 43809628
6-N-(2-bromo-6-fluorophenyl)quinoline-5,6-diamine
CID 107596683
6-N-(4-fluoro-2-iodophenyl)quinoline-5,6-diamine
CID 79769203
6-N-ethylquinoline-5,6-diamine
CID 43809532
6-N-(3-methylsulfanylphenyl)quinoline-5,6-diamine
CID 43809585
6-N-cyclopropylquinoline-5,6-diamine
CID 43809527
3-[(5-aminoquinolin-6-yl)amino]-2-methylpropan-1-ol
CID 65034635
6-N-[(3-methyl-2-pyridinyl)methyl]quinoline-5,6-diamine
CID 63305883
6-(2-chloro-5-methylphenoxy)quinolin-5-amine
CID 43809883

Frequently Asked Questions

What is the IUPAC name of 6-N-(2-bromo-4-methylphenyl)quinoline-5,6-diamine?
The IUPAC name of 6-N-(2-bromo-4-methylphenyl)quinoline-5,6-diamine (CID 43809587) is 6-N-(2-bromo-4-methylphenyl)quinoline-5,6-diamine.
What is the SMILES notation for 6-N-(2-bromo-4-methylphenyl)quinoline-5,6-diamine?
The canonical SMILES for 6-N-(2-bromo-4-methylphenyl)quinoline-5,6-diamine is Cc1ccc(Nc2ccc3ncccc3c2N)c(Br)c1.
What is the InChIKey of 6-N-(2-bromo-4-methylphenyl)quinoline-5,6-diamine?
The InChIKey is WWOFVPSCRWYLLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN3/c1-10-4-5-14(12(17)9-10)20-15-7-6-13-11(16(15)18)3-2-8-19-13/h2-9,20H,18H2,1H3.
What are the key properties of 6-N-(2-bromo-4-methylphenyl)quinoline-5,6-diamine?
6-N-(2-bromo-4-methylphenyl)quinoline-5,6-diamine has a molecular weight of 328.21 g/mol, XLogP of 4.63, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2-bromo-4-methylphenyl)quinoline-5,6-diamine is sourced from PubChem (CID 43809587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).