3-bromo-8-N-(3,5-dimethylphenyl)quinoline-5,8-diamine

C17H16BrN3 — CID 106948978

IUPAC3-bromo-8-N-(3,5-dimethylphenyl)quinoline-5,8-diamine
SMILESCc1cc(C)cc(Nc2ccc(N)c3cc(Br)cnc23)c1
InChIInChI=1S/C17H16BrN3/c1-10-5-11(2)7-13(6-10)21-16-4-3-15(19)14-8-12(18)9-20-17(14)16/h3-9,21H,19H2,1-2H3
InChIKeyUIAGLDHUOZLMRM-UHFFFAOYSA-N
MW342.24 g/mol
LogP4.94
Rot. Bonds2

About 3-bromo-8-N-(3,5-dimethylphenyl)quinoline-5,8-diamine

3-bromo-8-N-(3,5-dimethylphenyl)quinoline-5,8-diamine (PubChem CID 106948978) has the molecular formula C17H16BrN3 and a molecular weight of 342.24 g/mol. Its IUPAC name is 3-bromo-8-N-(3,5-dimethylphenyl)quinoline-5,8-diamine.

Molecular Properties

Compound Name3-bromo-8-N-(3,5-dimethylphenyl)quinoline-5,8-diamine
PubChem CID106948978
Molecular FormulaC17H16BrN3
Molecular Weight342.24 g/mol
Exact Mass341.05
IUPAC Name3-bromo-8-N-(3,5-dimethylphenyl)quinoline-5,8-diamine
SMILESCc1cc(C)cc(Nc2ccc(N)c3cc(Br)cnc23)c1
InChIInChI=1S/C17H16BrN3/c1-10-5-11(2)7-13(6-10)21-16-4-3-15(19)14-8-12(18)9-20-17(14)16/h3-9,21H,19H2,1-2H3
InChIKeyUIAGLDHUOZLMRM-UHFFFAOYSA-N
XLogP4.94
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.24
LogP ≤ 54.94
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

3-bromo-8-N-phenylquinoline-5,8-diamine
CID 106948943
3-bromo-8-N-(3,4-difluorophenyl)quinoline-5,8-diamine
CID 106948962
3-bromo-8-N-(3-methoxyphenyl)quinoline-5,8-diamine
CID 106948986
3-bromo-8-N-(5-chloro-2-fluorophenyl)quinoline-5,8-diamine
CID 106949035
3-bromo-8-N-(3-methyl-2-propan-2-ylbutyl)quinoline-5,8-diamine
CID 106949703
3-bromo-8-N-(4-fluoro-2-iodophenyl)quinoline-5,8-diamine
CID 106949496
3-bromo-8-N-[(2-methylcyclopropyl)methyl]quinoline-5,8-diamine
CID 106949601
3-bromo-8-N-pentylquinoline-5,8-diamine
CID 106948914
3-bromo-8-N-(2-methylcyclohexyl)quinoline-5,8-diamine
CID 106948924
3-bromo-8-N-pentan-2-ylquinoline-5,8-diamine
CID 106948910
3-bromo-8-N-[(6-methyl-2-pyridinyl)methyl]quinoline-5,8-diamine
CID 106949300
3-bromo-8-N-(1-methylsulfonylpropan-2-yl)quinoline-5,8-diamine
CID 106949431

Frequently Asked Questions

What is the IUPAC name of 3-bromo-8-N-(3,5-dimethylphenyl)quinoline-5,8-diamine?
The IUPAC name of 3-bromo-8-N-(3,5-dimethylphenyl)quinoline-5,8-diamine (CID 106948978) is 3-bromo-8-N-(3,5-dimethylphenyl)quinoline-5,8-diamine.
What is the SMILES notation for 3-bromo-8-N-(3,5-dimethylphenyl)quinoline-5,8-diamine?
The canonical SMILES for 3-bromo-8-N-(3,5-dimethylphenyl)quinoline-5,8-diamine is Cc1cc(C)cc(Nc2ccc(N)c3cc(Br)cnc23)c1.
What is the InChIKey of 3-bromo-8-N-(3,5-dimethylphenyl)quinoline-5,8-diamine?
The InChIKey is UIAGLDHUOZLMRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN3/c1-10-5-11(2)7-13(6-10)21-16-4-3-15(19)14-8-12(18)9-20-17(14)16/h3-9,21H,19H2,1-2H3.
What are the key properties of 3-bromo-8-N-(3,5-dimethylphenyl)quinoline-5,8-diamine?
3-bromo-8-N-(3,5-dimethylphenyl)quinoline-5,8-diamine has a molecular weight of 342.24 g/mol, XLogP of 4.94, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-8-N-(3,5-dimethylphenyl)quinoline-5,8-diamine is sourced from PubChem (CID 106948978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).