5-N-(2,6-difluorophenyl)isoquinoline-5,8-diamine

C15H11F2N3 — CID 43448805

IUPAC5-N-(2,6-difluorophenyl)isoquinoline-5,8-diamine
SMILESNc1ccc(Nc2c(F)cccc2F)c2ccncc12
InChIInChI=1S/C15H11F2N3/c16-11-2-1-3-12(17)15(11)20-14-5-4-13(18)10-8-19-7-6-9(10)14/h1-8,20H,18H2
InChIKeyGGXIIQGNFNKGPU-UHFFFAOYSA-N
MW271.27 g/mol
LogP3.84
Rot. Bonds2

About 5-N-(2,6-difluorophenyl)isoquinoline-5,8-diamine

5-N-(2,6-difluorophenyl)isoquinoline-5,8-diamine (PubChem CID 43448805) has the molecular formula C15H11F2N3 and a molecular weight of 271.27 g/mol. Its IUPAC name is 5-N-(2,6-difluorophenyl)isoquinoline-5,8-diamine.

Molecular Properties

Compound Name5-N-(2,6-difluorophenyl)isoquinoline-5,8-diamine
PubChem CID43448805
Molecular FormulaC15H11F2N3
Molecular Weight271.27 g/mol
Exact Mass271.09
IUPAC Name5-N-(2,6-difluorophenyl)isoquinoline-5,8-diamine
SMILESNc1ccc(Nc2c(F)cccc2F)c2ccncc12
InChIInChI=1S/C15H11F2N3/c16-11-2-1-3-12(17)15(11)20-14-5-4-13(18)10-8-19-7-6-9(10)14/h1-8,20H,18H2
InChIKeyGGXIIQGNFNKGPU-UHFFFAOYSA-N
XLogP3.84
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 53.84
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

6-N-(2,6-difluorophenyl)isoquinoline-5,6-diamine
CID 106947600
8-N-(3-fluoro-2-methylphenyl)isoquinoline-5,8-diamine
CID 103137873
5-N-(2,5-difluorophenyl)isoquinoline-5,8-diamine
CID 43448757
5-N-(4-bromo-2-fluorophenyl)isoquinoline-5,8-diamine
CID 43448758
5-N-(4-iodophenyl)isoquinoline-5,8-diamine
CID 43448766
5-N-[(3-fluorophenyl)methyl]isoquinoline-5,8-diamine
CID 43448730
8-N-(2-bromo-4-fluorophenyl)isoquinoline-5,8-diamine
CID 103137126
isoquinoline-5,8-diamine;hydrochloride
CID 75525603
5-N-(4-ethylphenyl)isoquinoline-5,8-diamine
CID 43448787
3-fluoro-2-N-pyridin-4-ylbenzene-1,2-diamine
CID 115125636
4-[(5-aminoisoquinolin-8-yl)amino]-3-fluorobenzonitrile
CID 103138842
5-N-cycloheptylisoquinoline-5,8-diamine
CID 43448815

Frequently Asked Questions

What is the IUPAC name of 5-N-(2,6-difluorophenyl)isoquinoline-5,8-diamine?
The IUPAC name of 5-N-(2,6-difluorophenyl)isoquinoline-5,8-diamine (CID 43448805) is 5-N-(2,6-difluorophenyl)isoquinoline-5,8-diamine.
What is the SMILES notation for 5-N-(2,6-difluorophenyl)isoquinoline-5,8-diamine?
The canonical SMILES for 5-N-(2,6-difluorophenyl)isoquinoline-5,8-diamine is Nc1ccc(Nc2c(F)cccc2F)c2ccncc12.
What is the InChIKey of 5-N-(2,6-difluorophenyl)isoquinoline-5,8-diamine?
The InChIKey is GGXIIQGNFNKGPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2N3/c16-11-2-1-3-12(17)15(11)20-14-5-4-13(18)10-8-19-7-6-9(10)14/h1-8,20H,18H2.
What are the key properties of 5-N-(2,6-difluorophenyl)isoquinoline-5,8-diamine?
5-N-(2,6-difluorophenyl)isoquinoline-5,8-diamine has a molecular weight of 271.27 g/mol, XLogP of 3.84, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2,6-difluorophenyl)isoquinoline-5,8-diamine is sourced from PubChem (CID 43448805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).