5-(2,4,5-trichlorophenoxy)quinolin-8-amine

C15H9Cl3N2O — CID 43449630

IUPAC5-(2,4,5-trichlorophenoxy)quinolin-8-amine
SMILESNc1ccc(Oc2cc(Cl)c(Cl)cc2Cl)c2cccnc12
InChIInChI=1S/C15H9Cl3N2O/c16-9-6-11(18)14(7-10(9)17)21-13-4-3-12(19)15-8(13)2-1-5-20-15/h1-7H,19H2
InChIKeyMYXOULYLBKTYPF-UHFFFAOYSA-N
MW339.61 g/mol
LogP5.57
Rot. Bonds2

About 5-(2,4,5-trichlorophenoxy)quinolin-8-amine

5-(2,4,5-trichlorophenoxy)quinolin-8-amine (PubChem CID 43449630) has the molecular formula C15H9Cl3N2O and a molecular weight of 339.61 g/mol. Its IUPAC name is 5-(2,4,5-trichlorophenoxy)quinolin-8-amine.

Molecular Properties

Compound Name5-(2,4,5-trichlorophenoxy)quinolin-8-amine
PubChem CID43449630
Molecular FormulaC15H9Cl3N2O
Molecular Weight339.61 g/mol
Exact Mass337.98
IUPAC Name5-(2,4,5-trichlorophenoxy)quinolin-8-amine
SMILESNc1ccc(Oc2cc(Cl)c(Cl)cc2Cl)c2cccnc12
InChIInChI=1S/C15H9Cl3N2O/c16-9-6-11(18)14(7-10(9)17)21-13-4-3-12(19)15-8(13)2-1-5-20-15/h1-7H,19H2
InChIKeyMYXOULYLBKTYPF-UHFFFAOYSA-N
XLogP5.57
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.61
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

5-(4-chlorophenoxy)quinolin-8-amine
CID 43449608
5-(4-chloro-2,6-dimethylphenoxy)quinolin-8-amine
CID 43449591
5-(2,5-dimethylphenoxy)quinolin-8-amine
CID 43449609
5-(5-chloropyrimidin-2-yl)oxyquinolin-8-amine
CID 116525568
5-(2-iodophenoxy)quinolin-8-amine
CID 43479572
8-(2,4,5-trichlorophenoxy)isoquinolin-5-amine
CID 103139705
4-(3,4-dichlorophenoxy)quinolin-8-amine
CID 83060695
5-[(2-methyl-4-pyridinyl)oxy]quinolin-8-amine
CID 116525610
5-(5-fluoropyrimidin-2-yl)oxyquinolin-8-amine
CID 116525609
5-(4-bromo-3,5-dimethylphenoxy)quinolin-8-amine
CID 107722592
6-(4-bromo-2,5-dichlorophenoxy)quinolin-5-amine
CID 107655292
4-(4-chloro-2-methylphenoxy)quinolin-8-amine
CID 83060835

Frequently Asked Questions

What is the IUPAC name of 5-(2,4,5-trichlorophenoxy)quinolin-8-amine?
The IUPAC name of 5-(2,4,5-trichlorophenoxy)quinolin-8-amine (CID 43449630) is 5-(2,4,5-trichlorophenoxy)quinolin-8-amine.
What is the SMILES notation for 5-(2,4,5-trichlorophenoxy)quinolin-8-amine?
The canonical SMILES for 5-(2,4,5-trichlorophenoxy)quinolin-8-amine is Nc1ccc(Oc2cc(Cl)c(Cl)cc2Cl)c2cccnc12.
What is the InChIKey of 5-(2,4,5-trichlorophenoxy)quinolin-8-amine?
The InChIKey is MYXOULYLBKTYPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl3N2O/c16-9-6-11(18)14(7-10(9)17)21-13-4-3-12(19)15-8(13)2-1-5-20-15/h1-7H,19H2.
What are the key properties of 5-(2,4,5-trichlorophenoxy)quinolin-8-amine?
5-(2,4,5-trichlorophenoxy)quinolin-8-amine has a molecular weight of 339.61 g/mol, XLogP of 5.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4,5-trichlorophenoxy)quinolin-8-amine is sourced from PubChem (CID 43449630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).