8-(2,3-dichlorophenoxy)isoquinolin-5-amine

C15H10Cl2N2O — CID 103139757

IUPAC8-(2,3-dichlorophenoxy)isoquinolin-5-amine
SMILESNc1ccc(Oc2cccc(Cl)c2Cl)c2cnccc12
InChIInChI=1S/C15H10Cl2N2O/c16-11-2-1-3-14(15(11)17)20-13-5-4-12(18)9-6-7-19-8-10(9)13/h1-8H,18H2
InChIKeyLAXMTNJCXYGRLK-UHFFFAOYSA-N
MW305.16 g/mol
LogP4.92
Rot. Bonds2

About 8-(2,3-dichlorophenoxy)isoquinolin-5-amine

8-(2,3-dichlorophenoxy)isoquinolin-5-amine (PubChem CID 103139757) has the molecular formula C15H10Cl2N2O and a molecular weight of 305.16 g/mol. Its IUPAC name is 8-(2,3-dichlorophenoxy)isoquinolin-5-amine.

Molecular Properties

Compound Name8-(2,3-dichlorophenoxy)isoquinolin-5-amine
PubChem CID103139757
Molecular FormulaC15H10Cl2N2O
Molecular Weight305.16 g/mol
Exact Mass304.02
IUPAC Name8-(2,3-dichlorophenoxy)isoquinolin-5-amine
SMILESNc1ccc(Oc2cccc(Cl)c2Cl)c2cnccc12
InChIInChI=1S/C15H10Cl2N2O/c16-11-2-1-3-14(15(11)17)20-13-5-4-12(18)9-6-7-19-8-10(9)13/h1-8H,18H2
InChIKeyLAXMTNJCXYGRLK-UHFFFAOYSA-N
XLogP4.92
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.16
LogP ≤ 54.92
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-chloro-4-fluorophenoxy)isoquinolin-5-amine
CID 103139902
8-(2-iodophenoxy)isoquinolin-5-amine
CID 103139878
8-(2,3-dichlorophenoxy)quinolin-5-amine
CID 43450313
8-(3,5-dichlorophenoxy)isoquinolin-5-amine
CID 103139890
8-(3-methylphenoxy)isoquinolin-5-amine
CID 103139672
8-chloroisoquinolin-5-amine
CID 53421157
4-(2-chlorophenoxy)pyridin-3-amine
CID 28890150
1,2-dichloro-3-(2,6-dichlorophenoxy)benzene
CID 72941859
isoquinoline-5,8-diamine;hydrochloride
CID 75525603
8-ethoxyisoquinolin-5-amine
CID 103139590
4-[(3-chloro-2-pyridinyl)oxy]naphthalen-1-amine
CID 55228286

Frequently Asked Questions

What is the IUPAC name of 8-(2,3-dichlorophenoxy)isoquinolin-5-amine?
The IUPAC name of 8-(2,3-dichlorophenoxy)isoquinolin-5-amine (CID 103139757) is 8-(2,3-dichlorophenoxy)isoquinolin-5-amine.
What is the SMILES notation for 8-(2,3-dichlorophenoxy)isoquinolin-5-amine?
The canonical SMILES for 8-(2,3-dichlorophenoxy)isoquinolin-5-amine is Nc1ccc(Oc2cccc(Cl)c2Cl)c2cnccc12.
What is the InChIKey of 8-(2,3-dichlorophenoxy)isoquinolin-5-amine?
The InChIKey is LAXMTNJCXYGRLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N2O/c16-11-2-1-3-14(15(11)17)20-13-5-4-12(18)9-6-7-19-8-10(9)13/h1-8H,18H2.
What are the key properties of 8-(2,3-dichlorophenoxy)isoquinolin-5-amine?
8-(2,3-dichlorophenoxy)isoquinolin-5-amine has a molecular weight of 305.16 g/mol, XLogP of 4.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,3-dichlorophenoxy)isoquinolin-5-amine is sourced from PubChem (CID 103139757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).