8-(2,5-dichlorophenoxy)-7-fluoroquinolin-5-amine

C15H9Cl2FN2O — CID 83164661

IUPAC8-(2,5-dichlorophenoxy)-7-fluoroquinolin-5-amine
SMILESNc1cc(F)c(Oc2cc(Cl)ccc2Cl)c2ncccc12
InChIInChI=1S/C15H9Cl2FN2O/c16-8-3-4-10(17)13(6-8)21-15-11(18)7-12(19)9-2-1-5-20-14(9)15/h1-7H,19H2
InChIKeyMYJRVVYRBPCQTP-UHFFFAOYSA-N
MW323.15 g/mol
LogP5.06
Rot. Bonds2

About 8-(2,5-dichlorophenoxy)-7-fluoroquinolin-5-amine

8-(2,5-dichlorophenoxy)-7-fluoroquinolin-5-amine (PubChem CID 83164661) has the molecular formula C15H9Cl2FN2O and a molecular weight of 323.15 g/mol. Its IUPAC name is 8-(2,5-dichlorophenoxy)-7-fluoroquinolin-5-amine.

Molecular Properties

Compound Name8-(2,5-dichlorophenoxy)-7-fluoroquinolin-5-amine
PubChem CID83164661
Molecular FormulaC15H9Cl2FN2O
Molecular Weight323.15 g/mol
Exact Mass322.01
IUPAC Name8-(2,5-dichlorophenoxy)-7-fluoroquinolin-5-amine
SMILESNc1cc(F)c(Oc2cc(Cl)ccc2Cl)c2ncccc12
InChIInChI=1S/C15H9Cl2FN2O/c16-8-3-4-10(17)13(6-8)21-15-11(18)7-12(19)9-2-1-5-20-14(9)15/h1-7H,19H2
InChIKeyMYJRVVYRBPCQTP-UHFFFAOYSA-N
XLogP5.06
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.15
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-(2,5-dichlorophenoxy)-7-fluoroquinolin-5-amine?
The IUPAC name of 8-(2,5-dichlorophenoxy)-7-fluoroquinolin-5-amine (CID 83164661) is 8-(2,5-dichlorophenoxy)-7-fluoroquinolin-5-amine.
What is the SMILES notation for 8-(2,5-dichlorophenoxy)-7-fluoroquinolin-5-amine?
The canonical SMILES for 8-(2,5-dichlorophenoxy)-7-fluoroquinolin-5-amine is Nc1cc(F)c(Oc2cc(Cl)ccc2Cl)c2ncccc12.
What is the InChIKey of 8-(2,5-dichlorophenoxy)-7-fluoroquinolin-5-amine?
The InChIKey is MYJRVVYRBPCQTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2FN2O/c16-8-3-4-10(17)13(6-8)21-15-11(18)7-12(19)9-2-1-5-20-14(9)15/h1-7H,19H2.
What are the key properties of 8-(2,5-dichlorophenoxy)-7-fluoroquinolin-5-amine?
8-(2,5-dichlorophenoxy)-7-fluoroquinolin-5-amine has a molecular weight of 323.15 g/mol, XLogP of 5.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,5-dichlorophenoxy)-7-fluoroquinolin-5-amine is sourced from PubChem (CID 83164661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).