3-bromo-8-N-phenylquinoline-5,8-diamine

C15H12BrN3 — CID 106948943

IUPAC3-bromo-8-N-phenylquinoline-5,8-diamine
SMILESNc1ccc(Nc2ccccc2)c2ncc(Br)cc12
InChIInChI=1S/C15H12BrN3/c16-10-8-12-13(17)6-7-14(15(12)18-9-10)19-11-4-2-1-3-5-11/h1-9,19H,17H2
InChIKeyXYOJFRCFJJVQRK-UHFFFAOYSA-N
MW314.19 g/mol
LogP4.32
Rot. Bonds2

About 3-bromo-8-N-phenylquinoline-5,8-diamine

3-bromo-8-N-phenylquinoline-5,8-diamine (PubChem CID 106948943) has the molecular formula C15H12BrN3 and a molecular weight of 314.19 g/mol. Its IUPAC name is 3-bromo-8-N-phenylquinoline-5,8-diamine.

Molecular Properties

Compound Name3-bromo-8-N-phenylquinoline-5,8-diamine
PubChem CID106948943
Molecular FormulaC15H12BrN3
Molecular Weight314.19 g/mol
Exact Mass313.02
IUPAC Name3-bromo-8-N-phenylquinoline-5,8-diamine
SMILESNc1ccc(Nc2ccccc2)c2ncc(Br)cc12
InChIInChI=1S/C15H12BrN3/c16-10-8-12-13(17)6-7-14(15(12)18-9-10)19-11-4-2-1-3-5-11/h1-9,19H,17H2
InChIKeyXYOJFRCFJJVQRK-UHFFFAOYSA-N
XLogP4.32
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.19
LogP ≤ 54.32
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-(3,5-dimethylphenyl)quinoline-5,8-diamine
CID 106948978
3-bromo-8-N-(3-methoxyphenyl)quinoline-5,8-diamine
CID 106948986
3-bromo-8-N-(3,4-difluorophenyl)quinoline-5,8-diamine
CID 106948962
3-bromo-8-N-(5-chloro-2-fluorophenyl)quinoline-5,8-diamine
CID 106949035
3-bromo-8-N-(4-fluoro-2-iodophenyl)quinoline-5,8-diamine
CID 106949496
3-bromo-N-phenylquinolin-8-amine
CID 86754991
3-bromo-8-phenylsulfanylquinolin-5-amine
CID 106949932
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-(3-methyl-2-propan-2-ylbutyl)quinoline-5,8-diamine
CID 106949703
3-[(5-amino-3-bromoquinolin-8-yl)amino]propane-1,2-diol
CID 106949477
3-bromo-8-N-pentan-2-ylquinoline-5,8-diamine
CID 106948910

Frequently Asked Questions

What is the IUPAC name of 3-bromo-8-N-phenylquinoline-5,8-diamine?
The IUPAC name of 3-bromo-8-N-phenylquinoline-5,8-diamine (CID 106948943) is 3-bromo-8-N-phenylquinoline-5,8-diamine.
What is the SMILES notation for 3-bromo-8-N-phenylquinoline-5,8-diamine?
The canonical SMILES for 3-bromo-8-N-phenylquinoline-5,8-diamine is Nc1ccc(Nc2ccccc2)c2ncc(Br)cc12.
What is the InChIKey of 3-bromo-8-N-phenylquinoline-5,8-diamine?
The InChIKey is XYOJFRCFJJVQRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN3/c16-10-8-12-13(17)6-7-14(15(12)18-9-10)19-11-4-2-1-3-5-11/h1-9,19H,17H2.
What are the key properties of 3-bromo-8-N-phenylquinoline-5,8-diamine?
3-bromo-8-N-phenylquinoline-5,8-diamine has a molecular weight of 314.19 g/mol, XLogP of 4.32, 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-phenylquinoline-5,8-diamine is sourced from PubChem (CID 106948943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).