6-(2,4-dichlorophenoxy)isoquinolin-5-amine

C15H10Cl2N2O — CID 106948588

IUPAC6-(2,4-dichlorophenoxy)isoquinolin-5-amine
SMILESNc1c(Oc2ccc(Cl)cc2Cl)ccc2cnccc12
InChIInChI=1S/C15H10Cl2N2O/c16-10-2-4-13(12(17)7-10)20-14-3-1-9-8-19-6-5-11(9)15(14)18/h1-8H,18H2
InChIKeyKONXQRNQKIISLA-UHFFFAOYSA-N
MW305.16 g/mol
LogP4.92
Rot. Bonds2

About 6-(2,4-dichlorophenoxy)isoquinolin-5-amine

6-(2,4-dichlorophenoxy)isoquinolin-5-amine (PubChem CID 106948588) has the molecular formula C15H10Cl2N2O and a molecular weight of 305.16 g/mol. Its IUPAC name is 6-(2,4-dichlorophenoxy)isoquinolin-5-amine.

Molecular Properties

Compound Name6-(2,4-dichlorophenoxy)isoquinolin-5-amine
PubChem CID106948588
Molecular FormulaC15H10Cl2N2O
Molecular Weight305.16 g/mol
Exact Mass304.02
IUPAC Name6-(2,4-dichlorophenoxy)isoquinolin-5-amine
SMILESNc1c(Oc2ccc(Cl)cc2Cl)ccc2cnccc12
InChIInChI=1S/C15H10Cl2N2O/c16-10-2-4-13(12(17)7-10)20-14-3-1-9-8-19-6-5-11(9)15(14)18/h1-8H,18H2
InChIKeyKONXQRNQKIISLA-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

6-(5-bromo-2-fluorophenoxy)isoquinolin-5-amine
CID 106948740
6-(4-bromo-3-fluorophenoxy)isoquinolin-5-amine
CID 106948708
4-[(3-chloro-4-pyridinyl)oxy]-3-fluoroaniline
CID 79840437
2-(5-aminoisoquinolin-6-yl)oxybenzonitrile
CID 106948597
6-N-(2-bromo-4-chlorophenyl)isoquinoline-5,6-diamine
CID 106948288
8-(2,4,5-trichlorophenoxy)isoquinolin-5-amine
CID 103139705
N-[[4-(2,4-dichlorophenoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 81254059
8-(2-chloro-4-fluorophenoxy)isoquinolin-5-amine
CID 103139902
6-(cyclopropylmethoxy)isoquinolin-5-amine
CID 106948623
6-(2-methylpropoxy)isoquinolin-5-amine
CID 106948601
4-chloro-3-[(3-chloro-4-pyridinyl)oxy]aniline
CID 79841304
4-bromo-3-[(3-chloro-4-pyridinyl)oxy]aniline
CID 103011473

Frequently Asked Questions

What is the IUPAC name of 6-(2,4-dichlorophenoxy)isoquinolin-5-amine?
The IUPAC name of 6-(2,4-dichlorophenoxy)isoquinolin-5-amine (CID 106948588) is 6-(2,4-dichlorophenoxy)isoquinolin-5-amine.
What is the SMILES notation for 6-(2,4-dichlorophenoxy)isoquinolin-5-amine?
The canonical SMILES for 6-(2,4-dichlorophenoxy)isoquinolin-5-amine is Nc1c(Oc2ccc(Cl)cc2Cl)ccc2cnccc12.
What is the InChIKey of 6-(2,4-dichlorophenoxy)isoquinolin-5-amine?
The InChIKey is KONXQRNQKIISLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N2O/c16-10-2-4-13(12(17)7-10)20-14-3-1-9-8-19-6-5-11(9)15(14)18/h1-8H,18H2.
What are the key properties of 6-(2,4-dichlorophenoxy)isoquinolin-5-amine?
6-(2,4-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 6-(2,4-dichlorophenoxy)isoquinolin-5-amine is sourced from PubChem (CID 106948588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).