8-(2-iodophenoxy)isoquinolin-5-amine

C15H11IN2O — CID 103139878

IUPAC8-(2-iodophenoxy)isoquinolin-5-amine
SMILESNc1ccc(Oc2ccccc2I)c2cnccc12
InChIInChI=1S/C15H11IN2O/c16-12-3-1-2-4-15(12)19-14-6-5-13(17)10-7-8-18-9-11(10)14/h1-9H,17H2
InChIKeyWANYLNPKWIKHPU-UHFFFAOYSA-N
MW362.17 g/mol
LogP4.21
Rot. Bonds2

About 8-(2-iodophenoxy)isoquinolin-5-amine

8-(2-iodophenoxy)isoquinolin-5-amine (PubChem CID 103139878) has the molecular formula C15H11IN2O and a molecular weight of 362.17 g/mol. Its IUPAC name is 8-(2-iodophenoxy)isoquinolin-5-amine.

Molecular Properties

Compound Name8-(2-iodophenoxy)isoquinolin-5-amine
PubChem CID103139878
Molecular FormulaC15H11IN2O
Molecular Weight362.17 g/mol
Exact Mass361.99
IUPAC Name8-(2-iodophenoxy)isoquinolin-5-amine
SMILESNc1ccc(Oc2ccccc2I)c2cnccc12
InChIInChI=1S/C15H11IN2O/c16-12-3-1-2-4-15(12)19-14-6-5-13(17)10-7-8-18-9-11(10)14/h1-9H,17H2
InChIKeyWANYLNPKWIKHPU-UHFFFAOYSA-N
XLogP4.21
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.17
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

8-(2,3-dichlorophenoxy)isoquinolin-5-amine
CID 103139757
8-(2,4,5-trichlorophenoxy)isoquinolin-5-amine
CID 103139705
5-(2-iodophenoxy)quinolin-8-amine
CID 43479572
8-(2-chloro-4-fluorophenoxy)isoquinolin-5-amine
CID 103139902
8-(3-methylphenoxy)isoquinolin-5-amine
CID 103139672
8-(3,5-dichlorophenoxy)isoquinolin-5-amine
CID 103139890
isoquinoline-5,8-diamine;hydrochloride
CID 75525603
8-ethoxyisoquinolin-5-amine
CID 103139590
[4-(5-aminoisoquinolin-8-yl)oxyphenyl]methanol
CID 103139931
8-[(5-methyl-1H-pyrazol-3-yl)oxy]isoquinolin-5-amine
CID 103140085
6-(2-iodophenoxy)quinolin-5-amine
CID 43809889
8-propoxyisoquinolin-5-amine
CID 103139869

Frequently Asked Questions

What is the IUPAC name of 8-(2-iodophenoxy)isoquinolin-5-amine?
The IUPAC name of 8-(2-iodophenoxy)isoquinolin-5-amine (CID 103139878) is 8-(2-iodophenoxy)isoquinolin-5-amine.
What is the SMILES notation for 8-(2-iodophenoxy)isoquinolin-5-amine?
The canonical SMILES for 8-(2-iodophenoxy)isoquinolin-5-amine is Nc1ccc(Oc2ccccc2I)c2cnccc12.
What is the InChIKey of 8-(2-iodophenoxy)isoquinolin-5-amine?
The InChIKey is WANYLNPKWIKHPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11IN2O/c16-12-3-1-2-4-15(12)19-14-6-5-13(17)10-7-8-18-9-11(10)14/h1-9H,17H2.
What are the key properties of 8-(2-iodophenoxy)isoquinolin-5-amine?
8-(2-iodophenoxy)isoquinolin-5-amine has a molecular weight of 362.17 g/mol, XLogP of 4.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-iodophenoxy)isoquinolin-5-amine is sourced from PubChem (CID 103139878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).