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

C15H10Br2FN3 — CID 104775577

IUPAC6-bromo-4-N-(3-bromo-4-fluorophenyl)quinoline-3,4-diamine
SMILESNc1cnc2ccc(Br)cc2c1Nc1ccc(F)c(Br)c1
InChIInChI=1S/C15H10Br2FN3/c16-8-1-4-14-10(5-8)15(13(19)7-20-14)21-9-2-3-12(18)11(17)6-9/h1-7H,19H2,(H,20,21)
InChIKeyWXXRSMPYFOTWLR-UHFFFAOYSA-N
MW411.07 g/mol
LogP5.22
Rot. Bonds2

About 6-bromo-4-N-(3-bromo-4-fluorophenyl)quinoline-3,4-diamine

6-bromo-4-N-(3-bromo-4-fluorophenyl)quinoline-3,4-diamine (PubChem CID 104775577) has the molecular formula C15H10Br2FN3 and a molecular weight of 411.07 g/mol. Its IUPAC name is 6-bromo-4-N-(3-bromo-4-fluorophenyl)quinoline-3,4-diamine.

Molecular Properties

Compound Name6-bromo-4-N-(3-bromo-4-fluorophenyl)quinoline-3,4-diamine
PubChem CID104775577
Molecular FormulaC15H10Br2FN3
Molecular Weight411.07 g/mol
Exact Mass408.92
IUPAC Name6-bromo-4-N-(3-bromo-4-fluorophenyl)quinoline-3,4-diamine
SMILESNc1cnc2ccc(Br)cc2c1Nc1ccc(F)c(Br)c1
InChIInChI=1S/C15H10Br2FN3/c16-8-1-4-14-10(5-8)15(13(19)7-20-14)21-9-2-3-12(18)11(17)6-9/h1-7H,19H2,(H,20,21)
InChIKeyWXXRSMPYFOTWLR-UHFFFAOYSA-N
XLogP5.22
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.07
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-4-N-(3,4-difluorophenyl)quinoline-3,4-diamine
CID 43621240
6-bromo-4-N-(5-bromo-2-fluorophenyl)quinoline-3,4-diamine
CID 43621343
6-bromo-4-N-[3-(trifluoromethyl)phenyl]quinoline-3,4-diamine
CID 118077835
6-bromo-4-N-(5-fluoro-2-methylphenyl)quinoline-3,4-diamine
CID 43621257
6-bromo-4-N-[6-(3-methyloxetan-3-yl)-3-pyridinyl]quinoline-3,4-diamine
CID 90422722
2-N-(3-bromo-4-fluorophenyl)pyrimidine-2,5-diamine
CID 104775622
6-bromo-4-N-cyclopentylquinoline-3,4-diamine
CID 43621174
6-bromo-4-N-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]quinoline-3,4-diamine
CID 123846358
3-[(3-amino-6-bromoquinolin-4-yl)amino]-2,2-dimethylpropan-1-ol
CID 115358199
6-bromo-4-N-[2-(dimethylamino)ethyl]quinoline-3,4-diamine
CID 43621177
6-bromo-4-(3-bromo-4-fluoroanilino)-N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]quinoline-3-carboxamide
CID 155554064
3,5-dibromo-N-(3-bromo-4-fluorophenyl)pyridin-2-amine
CID 104778643

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-N-(3-bromo-4-fluorophenyl)quinoline-3,4-diamine?
The IUPAC name of 6-bromo-4-N-(3-bromo-4-fluorophenyl)quinoline-3,4-diamine (CID 104775577) is 6-bromo-4-N-(3-bromo-4-fluorophenyl)quinoline-3,4-diamine.
What is the SMILES notation for 6-bromo-4-N-(3-bromo-4-fluorophenyl)quinoline-3,4-diamine?
The canonical SMILES for 6-bromo-4-N-(3-bromo-4-fluorophenyl)quinoline-3,4-diamine is Nc1cnc2ccc(Br)cc2c1Nc1ccc(F)c(Br)c1.
What is the InChIKey of 6-bromo-4-N-(3-bromo-4-fluorophenyl)quinoline-3,4-diamine?
The InChIKey is WXXRSMPYFOTWLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Br2FN3/c16-8-1-4-14-10(5-8)15(13(19)7-20-14)21-9-2-3-12(18)11(17)6-9/h1-7H,19H2,(H,20,21).
What are the key properties of 6-bromo-4-N-(3-bromo-4-fluorophenyl)quinoline-3,4-diamine?
6-bromo-4-N-(3-bromo-4-fluorophenyl)quinoline-3,4-diamine has a molecular weight of 411.07 g/mol, XLogP of 5.22, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-N-(3-bromo-4-fluorophenyl)quinoline-3,4-diamine is sourced from PubChem (CID 104775577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).