6-bromo-4-N-(5-fluoro-2-methylphenyl)quinoline-3,4-diamine

C16H13BrFN3 — CID 43621257

IUPAC6-bromo-4-N-(5-fluoro-2-methylphenyl)quinoline-3,4-diamine
SMILESCc1ccc(F)cc1Nc1c(N)cnc2ccc(Br)cc12
InChIInChI=1S/C16H13BrFN3/c1-9-2-4-11(18)7-15(9)21-16-12-6-10(17)3-5-14(12)20-8-13(16)19/h2-8H,19H2,1H3,(H,20,21)
InChIKeyFIGPQJOPFLSELX-UHFFFAOYSA-N
MW346.20 g/mol
LogP4.77
Rot. Bonds2

About 6-bromo-4-N-(5-fluoro-2-methylphenyl)quinoline-3,4-diamine

6-bromo-4-N-(5-fluoro-2-methylphenyl)quinoline-3,4-diamine (PubChem CID 43621257) has the molecular formula C16H13BrFN3 and a molecular weight of 346.20 g/mol. Its IUPAC name is 6-bromo-4-N-(5-fluoro-2-methylphenyl)quinoline-3,4-diamine.

Molecular Properties

Compound Name6-bromo-4-N-(5-fluoro-2-methylphenyl)quinoline-3,4-diamine
PubChem CID43621257
Molecular FormulaC16H13BrFN3
Molecular Weight346.20 g/mol
Exact Mass345.03
IUPAC Name6-bromo-4-N-(5-fluoro-2-methylphenyl)quinoline-3,4-diamine
SMILESCc1ccc(F)cc1Nc1c(N)cnc2ccc(Br)cc12
InChIInChI=1S/C16H13BrFN3/c1-9-2-4-11(18)7-15(9)21-16-12-6-10(17)3-5-14(12)20-8-13(16)19/h2-8H,19H2,1H3,(H,20,21)
InChIKeyFIGPQJOPFLSELX-UHFFFAOYSA-N
XLogP4.77
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.20
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-4-N-(5-bromo-2-fluorophenyl)quinoline-3,4-diamine
CID 43621343
6-bromo-4-N-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]quinoline-3,4-diamine
CID 123846358
6-bromo-4-N-(3,4-difluorophenyl)quinoline-3,4-diamine
CID 43621240
6-bromo-4-N-(3-bromo-4-fluorophenyl)quinoline-3,4-diamine
CID 104775577
6-bromo-4-N-[2-(dimethylamino)ethyl]quinoline-3,4-diamine
CID 43621177
6-bromo-4-N-(2-methylsulfonylethyl)quinoline-3,4-diamine
CID 54934689
6-N-(5-fluoro-2-methylphenyl)quinoline-5,6-diamine
CID 43809628
6-bromo-4-N-[6-(3-methyloxetan-3-yl)-3-pyridinyl]quinoline-3,4-diamine
CID 90422722
3-[(3-amino-6-bromoquinolin-4-yl)amino]-2,2-dimethylpropan-1-ol
CID 115358199
6-bromo-4-N-[3-(trifluoromethyl)phenyl]quinoline-3,4-diamine
CID 118077835
6-bromo-4-N-(2-pyridin-4-ylethyl)quinoline-3,4-diamine
CID 60915273
2-[(3-amino-6-bromoquinolin-4-yl)amino]ethylurea
CID 83116009

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-N-(5-fluoro-2-methylphenyl)quinoline-3,4-diamine?
The IUPAC name of 6-bromo-4-N-(5-fluoro-2-methylphenyl)quinoline-3,4-diamine (CID 43621257) is 6-bromo-4-N-(5-fluoro-2-methylphenyl)quinoline-3,4-diamine.
What is the SMILES notation for 6-bromo-4-N-(5-fluoro-2-methylphenyl)quinoline-3,4-diamine?
The canonical SMILES for 6-bromo-4-N-(5-fluoro-2-methylphenyl)quinoline-3,4-diamine is Cc1ccc(F)cc1Nc1c(N)cnc2ccc(Br)cc12.
What is the InChIKey of 6-bromo-4-N-(5-fluoro-2-methylphenyl)quinoline-3,4-diamine?
The InChIKey is FIGPQJOPFLSELX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrFN3/c1-9-2-4-11(18)7-15(9)21-16-12-6-10(17)3-5-14(12)20-8-13(16)19/h2-8H,19H2,1H3,(H,20,21).
What are the key properties of 6-bromo-4-N-(5-fluoro-2-methylphenyl)quinoline-3,4-diamine?
6-bromo-4-N-(5-fluoro-2-methylphenyl)quinoline-3,4-diamine has a molecular weight of 346.20 g/mol, XLogP of 4.77, 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-(5-fluoro-2-methylphenyl)quinoline-3,4-diamine is sourced from PubChem (CID 43621257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).