8-(2-chloro-4-fluorophenoxy)isoquinolin-5-amine

C15H10ClFN2O — CID 103139902

IUPAC8-(2-chloro-4-fluorophenoxy)isoquinolin-5-amine
SMILESNc1ccc(Oc2ccc(F)cc2Cl)c2cnccc12
InChIInChI=1S/C15H10ClFN2O/c16-12-7-9(17)1-3-15(12)20-14-4-2-13(18)10-5-6-19-8-11(10)14/h1-8H,18H2
InChIKeyROKFGESAOCJYLP-UHFFFAOYSA-N
MW288.71 g/mol
LogP4.40
Rot. Bonds2

About 8-(2-chloro-4-fluorophenoxy)isoquinolin-5-amine

8-(2-chloro-4-fluorophenoxy)isoquinolin-5-amine (PubChem CID 103139902) has the molecular formula C15H10ClFN2O and a molecular weight of 288.71 g/mol. Its IUPAC name is 8-(2-chloro-4-fluorophenoxy)isoquinolin-5-amine.

Molecular Properties

Compound Name8-(2-chloro-4-fluorophenoxy)isoquinolin-5-amine
PubChem CID103139902
Molecular FormulaC15H10ClFN2O
Molecular Weight288.71 g/mol
Exact Mass288.05
IUPAC Name8-(2-chloro-4-fluorophenoxy)isoquinolin-5-amine
SMILESNc1ccc(Oc2ccc(F)cc2Cl)c2cnccc12
InChIInChI=1S/C15H10ClFN2O/c16-12-7-9(17)1-3-15(12)20-14-4-2-13(18)10-5-6-19-8-11(10)14/h1-8H,18H2
InChIKeyROKFGESAOCJYLP-UHFFFAOYSA-N
XLogP4.40
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.71
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

8-(2,4,5-trichlorophenoxy)isoquinolin-5-amine
CID 103139705
8-(2,3-dichlorophenoxy)isoquinolin-5-amine
CID 103139757
8-(3,5-dichlorophenoxy)isoquinolin-5-amine
CID 103139890
8-(3-bromo-5-fluorophenoxy)isoquinolin-5-amine
CID 103140084
8-(2-iodophenoxy)isoquinolin-5-amine
CID 103139878
8-chloroisoquinolin-5-amine
CID 53421157
6-(2-chloro-4-fluorophenoxy)quinolin-5-amine
CID 60970898
5-chloro-2-(2-chloro-4-fluorophenoxy)-4-fluoroaniline
CID 66077320
5-bromo-2-(2-chloro-4-fluorophenoxy)pyridin-3-amine
CID 61228304
8-(3-methylphenoxy)isoquinolin-5-amine
CID 103139672
4-(2,4-difluorophenoxy)pyridin-3-amine
CID 28890071
8-[(5-methyl-1H-pyrazol-3-yl)oxy]isoquinolin-5-amine
CID 103140085

Frequently Asked Questions

What is the IUPAC name of 8-(2-chloro-4-fluorophenoxy)isoquinolin-5-amine?
The IUPAC name of 8-(2-chloro-4-fluorophenoxy)isoquinolin-5-amine (CID 103139902) is 8-(2-chloro-4-fluorophenoxy)isoquinolin-5-amine.
What is the SMILES notation for 8-(2-chloro-4-fluorophenoxy)isoquinolin-5-amine?
The canonical SMILES for 8-(2-chloro-4-fluorophenoxy)isoquinolin-5-amine is Nc1ccc(Oc2ccc(F)cc2Cl)c2cnccc12.
What is the InChIKey of 8-(2-chloro-4-fluorophenoxy)isoquinolin-5-amine?
The InChIKey is ROKFGESAOCJYLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClFN2O/c16-12-7-9(17)1-3-15(12)20-14-4-2-13(18)10-5-6-19-8-11(10)14/h1-8H,18H2.
What are the key properties of 8-(2-chloro-4-fluorophenoxy)isoquinolin-5-amine?
8-(2-chloro-4-fluorophenoxy)isoquinolin-5-amine has a molecular weight of 288.71 g/mol, XLogP of 4.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-chloro-4-fluorophenoxy)isoquinolin-5-amine is sourced from PubChem (CID 103139902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).