4-N-(4-bromophenyl)quinoline-4,8-diamine

C15H12BrN3 — CID 83061245

IUPAC4-N-(4-bromophenyl)quinoline-4,8-diamine
SMILESNc1cccc2c(Nc3ccc(Br)cc3)ccnc12
InChIInChI=1S/C15H12BrN3/c16-10-4-6-11(7-5-10)19-14-8-9-18-15-12(14)2-1-3-13(15)17/h1-9H,17H2,(H,18,19)
InChIKeyJVNQWQHQJLKXNX-UHFFFAOYSA-N
MW314.19 g/mol
LogP4.32
Rot. Bonds2

About 4-N-(4-bromophenyl)quinoline-4,8-diamine

4-N-(4-bromophenyl)quinoline-4,8-diamine (PubChem CID 83061245) has the molecular formula C15H12BrN3 and a molecular weight of 314.19 g/mol. Its IUPAC name is 4-N-(4-bromophenyl)quinoline-4,8-diamine.

Molecular Properties

Compound Name4-N-(4-bromophenyl)quinoline-4,8-diamine
PubChem CID83061245
Molecular FormulaC15H12BrN3
Molecular Weight314.19 g/mol
Exact Mass313.02
IUPAC Name4-N-(4-bromophenyl)quinoline-4,8-diamine
SMILESNc1cccc2c(Nc3ccc(Br)cc3)ccnc12
InChIInChI=1S/C15H12BrN3/c16-10-4-6-11(7-5-10)19-14-8-9-18-15-12(14)2-1-3-13(15)17/h1-9H,17H2,(H,18,19)
InChIKeyJVNQWQHQJLKXNX-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

4-N-(3,4-dimethylphenyl)quinoline-4,8-diamine
CID 83060283
4-N-(4-fluoro-3-methylphenyl)quinoline-4,8-diamine
CID 83060895
4-N-(2,5-dimethylphenyl)quinoline-4,8-diamine
CID 83060646
4-[(8-aminoquinolin-4-yl)amino]-3-bromobenzonitrile
CID 107787222
5-N-(4-methylphenyl)quinoline-5,8-diamine
CID 43449531
4-N-(2-ethylphenyl)quinoline-4,8-diamine
CID 83060869
4-N-(2-chloro-5-methylphenyl)quinoline-4,8-diamine
CID 107633881
4-N-[(5-bromo-2-fluorophenyl)methyl]quinoline-4,8-diamine
CID 83065691
2-[(8-aminoquinolin-5-yl)amino]-5-bromobenzonitrile
CID 82692584
4-N-cyclopropylquinoline-4,8-diamine
CID 83059537
4-N-(2-chloro-5-methoxyphenyl)quinoline-4,8-diamine
CID 83065865
4-N-(2-methylbutan-2-yl)quinoline-4,8-diamine
CID 83058211

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-bromophenyl)quinoline-4,8-diamine?
The IUPAC name of 4-N-(4-bromophenyl)quinoline-4,8-diamine (CID 83061245) is 4-N-(4-bromophenyl)quinoline-4,8-diamine.
What is the SMILES notation for 4-N-(4-bromophenyl)quinoline-4,8-diamine?
The canonical SMILES for 4-N-(4-bromophenyl)quinoline-4,8-diamine is Nc1cccc2c(Nc3ccc(Br)cc3)ccnc12.
What is the InChIKey of 4-N-(4-bromophenyl)quinoline-4,8-diamine?
The InChIKey is JVNQWQHQJLKXNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN3/c16-10-4-6-11(7-5-10)19-14-8-9-18-15-12(14)2-1-3-13(15)17/h1-9H,17H2,(H,18,19).
What are the key properties of 4-N-(4-bromophenyl)quinoline-4,8-diamine?
4-N-(4-bromophenyl)quinoline-4,8-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 4-N-(4-bromophenyl)quinoline-4,8-diamine is sourced from PubChem (CID 83061245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).