5-(3,4-difluorophenyl)sulfanylisoquinolin-8-amine

C15H10F2N2S — CID 43448974

IUPAC5-(3,4-difluorophenyl)sulfanylisoquinolin-8-amine
SMILESNc1ccc(Sc2ccc(F)c(F)c2)c2ccncc12
InChIInChI=1S/C15H10F2N2S/c16-12-2-1-9(7-13(12)17)20-15-4-3-14(18)11-8-19-6-5-10(11)15/h1-8H,18H2
InChIKeyYJMOEOXAIPCOFR-UHFFFAOYSA-N
MW288.32 g/mol
LogP4.25
Rot. Bonds2

About 5-(3,4-difluorophenyl)sulfanylisoquinolin-8-amine

5-(3,4-difluorophenyl)sulfanylisoquinolin-8-amine (PubChem CID 43448974) has the molecular formula C15H10F2N2S and a molecular weight of 288.32 g/mol. Its IUPAC name is 5-(3,4-difluorophenyl)sulfanylisoquinolin-8-amine.

Molecular Properties

Compound Name5-(3,4-difluorophenyl)sulfanylisoquinolin-8-amine
PubChem CID43448974
Molecular FormulaC15H10F2N2S
Molecular Weight288.32 g/mol
Exact Mass288.05
IUPAC Name5-(3,4-difluorophenyl)sulfanylisoquinolin-8-amine
SMILESNc1ccc(Sc2ccc(F)c(F)c2)c2ccncc12
InChIInChI=1S/C15H10F2N2S/c16-12-2-1-9(7-13(12)17)20-15-4-3-14(18)11-8-19-6-5-10(11)15/h1-8H,18H2
InChIKeyYJMOEOXAIPCOFR-UHFFFAOYSA-N
XLogP4.25
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-difluorophenyl)sulfanylisoquinolin-8-amine?
The IUPAC name of 5-(3,4-difluorophenyl)sulfanylisoquinolin-8-amine (CID 43448974) is 5-(3,4-difluorophenyl)sulfanylisoquinolin-8-amine.
What is the SMILES notation for 5-(3,4-difluorophenyl)sulfanylisoquinolin-8-amine?
The canonical SMILES for 5-(3,4-difluorophenyl)sulfanylisoquinolin-8-amine is Nc1ccc(Sc2ccc(F)c(F)c2)c2ccncc12.
What is the InChIKey of 5-(3,4-difluorophenyl)sulfanylisoquinolin-8-amine?
The InChIKey is YJMOEOXAIPCOFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2N2S/c16-12-2-1-9(7-13(12)17)20-15-4-3-14(18)11-8-19-6-5-10(11)15/h1-8H,18H2.
What are the key properties of 5-(3,4-difluorophenyl)sulfanylisoquinolin-8-amine?
5-(3,4-difluorophenyl)sulfanylisoquinolin-8-amine has a molecular weight of 288.32 g/mol, XLogP of 4.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-difluorophenyl)sulfanylisoquinolin-8-amine is sourced from PubChem (CID 43448974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).