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

C15H10BrF2N3 — CID 43621240

IUPAC6-bromo-4-N-(3,4-difluorophenyl)quinoline-3,4-diamine
SMILESNc1cnc2ccc(Br)cc2c1Nc1ccc(F)c(F)c1
InChIInChI=1S/C15H10BrF2N3/c16-8-1-4-14-10(5-8)15(13(19)7-20-14)21-9-2-3-11(17)12(18)6-9/h1-7H,19H2,(H,20,21)
InChIKeyBSNOZKOXKDKLFV-UHFFFAOYSA-N
MW350.17 g/mol
LogP4.60
Rot. Bonds2

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

6-bromo-4-N-(3,4-difluorophenyl)quinoline-3,4-diamine (PubChem CID 43621240) has the molecular formula C15H10BrF2N3 and a molecular weight of 350.17 g/mol. Its IUPAC name is 6-bromo-4-N-(3,4-difluorophenyl)quinoline-3,4-diamine.

Molecular Properties

Compound Name6-bromo-4-N-(3,4-difluorophenyl)quinoline-3,4-diamine
PubChem CID43621240
Molecular FormulaC15H10BrF2N3
Molecular Weight350.17 g/mol
Exact Mass349.00
IUPAC Name6-bromo-4-N-(3,4-difluorophenyl)quinoline-3,4-diamine
SMILESNc1cnc2ccc(Br)cc2c1Nc1ccc(F)c(F)c1
InChIInChI=1S/C15H10BrF2N3/c16-8-1-4-14-10(5-8)15(13(19)7-20-14)21-9-2-3-11(17)12(18)6-9/h1-7H,19H2,(H,20,21)
InChIKeyBSNOZKOXKDKLFV-UHFFFAOYSA-N
XLogP4.60
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.17
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-N-(3,4-difluorophenyl)quinoline-3,4-diamine?
The IUPAC name of 6-bromo-4-N-(3,4-difluorophenyl)quinoline-3,4-diamine (CID 43621240) is 6-bromo-4-N-(3,4-difluorophenyl)quinoline-3,4-diamine.
What is the SMILES notation for 6-bromo-4-N-(3,4-difluorophenyl)quinoline-3,4-diamine?
The canonical SMILES for 6-bromo-4-N-(3,4-difluorophenyl)quinoline-3,4-diamine is Nc1cnc2ccc(Br)cc2c1Nc1ccc(F)c(F)c1.
What is the InChIKey of 6-bromo-4-N-(3,4-difluorophenyl)quinoline-3,4-diamine?
The InChIKey is BSNOZKOXKDKLFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrF2N3/c16-8-1-4-14-10(5-8)15(13(19)7-20-14)21-9-2-3-11(17)12(18)6-9/h1-7H,19H2,(H,20,21).
What are the key properties of 6-bromo-4-N-(3,4-difluorophenyl)quinoline-3,4-diamine?
6-bromo-4-N-(3,4-difluorophenyl)quinoline-3,4-diamine has a molecular weight of 350.17 g/mol, XLogP of 4.60, 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-(3,4-difluorophenyl)quinoline-3,4-diamine is sourced from PubChem (CID 43621240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).