4-N-(3-bromo-4-fluorophenyl)quinoline-4,7-diamine

C15H11BrFN3 — CID 103001760

IUPAC4-N-(3-bromo-4-fluorophenyl)quinoline-4,7-diamine
SMILESNc1ccc2c(Nc3ccc(F)c(Br)c3)ccnc2c1
InChIInChI=1S/C15H11BrFN3/c16-12-8-10(2-4-13(12)17)20-14-5-6-19-15-7-9(18)1-3-11(14)15/h1-8H,18H2,(H,19,20)
InChIKeyZSCDIPOIMABCDO-UHFFFAOYSA-N
MW332.18 g/mol
LogP4.46
Rot. Bonds2

About 4-N-(3-bromo-4-fluorophenyl)quinoline-4,7-diamine

4-N-(3-bromo-4-fluorophenyl)quinoline-4,7-diamine (PubChem CID 103001760) has the molecular formula C15H11BrFN3 and a molecular weight of 332.18 g/mol. Its IUPAC name is 4-N-(3-bromo-4-fluorophenyl)quinoline-4,7-diamine.

Molecular Properties

Compound Name4-N-(3-bromo-4-fluorophenyl)quinoline-4,7-diamine
PubChem CID103001760
Molecular FormulaC15H11BrFN3
Molecular Weight332.18 g/mol
Exact Mass331.01
IUPAC Name4-N-(3-bromo-4-fluorophenyl)quinoline-4,7-diamine
SMILESNc1ccc2c(Nc3ccc(F)c(Br)c3)ccnc2c1
InChIInChI=1S/C15H11BrFN3/c16-12-8-10(2-4-13(12)17)20-14-5-6-19-15-7-9(18)1-3-11(14)15/h1-8H,18H2,(H,19,20)
InChIKeyZSCDIPOIMABCDO-UHFFFAOYSA-N
XLogP4.46
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.18
LogP ≤ 54.46
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-bromo-4-fluorophenyl)quinazoline-4,7-diamine
CID 104775655
N-(4-chlorophenyl)-7-fluoroquinolin-4-amine
CID 71468200
2-N-(3-bromo-4-fluorophenyl)pyrimidine-2,5-diamine
CID 104775622
5-amino-2-(3-bromo-4-fluoroanilino)benzenesulfonamide
CID 104775562
4-[(7-aminoquinolin-4-yl)amino]-N-[3-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]benzamide
CID 24857954
2-[(7-aminoquinolin-4-yl)amino]-5-bromobenzonitrile
CID 103001604
6-amino-7-(3-bromo-4-fluoroanilino)-3H-quinazolin-4-one
CID 136739072
4-N-[2-(2-fluorophenyl)ethyl]quinoline-4,7-diamine
CID 103000150
4-N-(2,3-dimethylphenyl)quinoline-4,7-diamine
CID 103000338
2-N-(3-bromo-4-fluorophenyl)-1,3-benzothiazole-2,6-diamine
CID 104775625
6-bromo-N-[4-[(dimethylamino)methyl]phenyl]-7-fluoroquinolin-4-amine
CID 123318659
4-N-(2,3-dichlorophenyl)quinoline-4,7-diamine
CID 103000343

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-bromo-4-fluorophenyl)quinoline-4,7-diamine?
The IUPAC name of 4-N-(3-bromo-4-fluorophenyl)quinoline-4,7-diamine (CID 103001760) is 4-N-(3-bromo-4-fluorophenyl)quinoline-4,7-diamine.
What is the SMILES notation for 4-N-(3-bromo-4-fluorophenyl)quinoline-4,7-diamine?
The canonical SMILES for 4-N-(3-bromo-4-fluorophenyl)quinoline-4,7-diamine is Nc1ccc2c(Nc3ccc(F)c(Br)c3)ccnc2c1.
What is the InChIKey of 4-N-(3-bromo-4-fluorophenyl)quinoline-4,7-diamine?
The InChIKey is ZSCDIPOIMABCDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrFN3/c16-12-8-10(2-4-13(12)17)20-14-5-6-19-15-7-9(18)1-3-11(14)15/h1-8H,18H2,(H,19,20).
What are the key properties of 4-N-(3-bromo-4-fluorophenyl)quinoline-4,7-diamine?
4-N-(3-bromo-4-fluorophenyl)quinoline-4,7-diamine has a molecular weight of 332.18 g/mol, XLogP of 4.46, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-bromo-4-fluorophenyl)quinoline-4,7-diamine is sourced from PubChem (CID 103001760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).