6-(4-bromo-2,5-dichlorophenoxy)quinolin-5-amine

C15H9BrCl2N2O — CID 107655292

IUPAC6-(4-bromo-2,5-dichlorophenoxy)quinolin-5-amine
SMILESNc1c(Oc2cc(Cl)c(Br)cc2Cl)ccc2ncccc12
InChIInChI=1S/C15H9BrCl2N2O/c16-9-6-11(18)14(7-10(9)17)21-13-4-3-12-8(15(13)19)2-1-5-20-12/h1-7H,19H2
InChIKeyKIGACILMUZOVKG-UHFFFAOYSA-N
MW384.06 g/mol
LogP5.68
Rot. Bonds2

About 6-(4-bromo-2,5-dichlorophenoxy)quinolin-5-amine

6-(4-bromo-2,5-dichlorophenoxy)quinolin-5-amine (PubChem CID 107655292) has the molecular formula C15H9BrCl2N2O and a molecular weight of 384.06 g/mol. Its IUPAC name is 6-(4-bromo-2,5-dichlorophenoxy)quinolin-5-amine.

Molecular Properties

Compound Name6-(4-bromo-2,5-dichlorophenoxy)quinolin-5-amine
PubChem CID107655292
Molecular FormulaC15H9BrCl2N2O
Molecular Weight384.06 g/mol
Exact Mass381.93
IUPAC Name6-(4-bromo-2,5-dichlorophenoxy)quinolin-5-amine
SMILESNc1c(Oc2cc(Cl)c(Br)cc2Cl)ccc2ncccc12
InChIInChI=1S/C15H9BrCl2N2O/c16-9-6-11(18)14(7-10(9)17)21-13-4-3-12-8(15(13)19)2-1-5-20-12/h1-7H,19H2
InChIKeyKIGACILMUZOVKG-UHFFFAOYSA-N
XLogP5.68
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.06
LogP ≤ 55.68
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

6-(2-chloro-5-methylphenoxy)quinolin-5-amine
CID 43809883
6-(2-chloro-4-fluorophenoxy)quinolin-5-amine
CID 60970898
6-(4-bromo-3,5-dimethylphenoxy)quinolin-5-amine
CID 107722598
6-(2-iodophenoxy)quinolin-5-amine
CID 43809889
3-(4-bromo-2,5-dichlorophenoxy)pyridine-2-carbothioamide
CID 107658134
6-(3-bromo-5-fluorophenoxy)quinolin-5-amine
CID 81322745
5-(2,4,5-trichlorophenoxy)quinolin-8-amine
CID 43449630
6-(3-methoxyphenoxy)quinolin-5-amine
CID 43809791
6-(2-fluoro-3-methylphenoxy)quinolin-5-amine
CID 107655430
2-amino-3-(4-bromo-2,5-dichlorophenoxy)benzonitrile
CID 107655342
4-(4-bromo-2,5-dichlorophenoxy)-2-chloroquinazoline
CID 107657835
6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]quinolin-5-amine
CID 103174392

Frequently Asked Questions

What is the IUPAC name of 6-(4-bromo-2,5-dichlorophenoxy)quinolin-5-amine?
The IUPAC name of 6-(4-bromo-2,5-dichlorophenoxy)quinolin-5-amine (CID 107655292) is 6-(4-bromo-2,5-dichlorophenoxy)quinolin-5-amine.
What is the SMILES notation for 6-(4-bromo-2,5-dichlorophenoxy)quinolin-5-amine?
The canonical SMILES for 6-(4-bromo-2,5-dichlorophenoxy)quinolin-5-amine is Nc1c(Oc2cc(Cl)c(Br)cc2Cl)ccc2ncccc12.
What is the InChIKey of 6-(4-bromo-2,5-dichlorophenoxy)quinolin-5-amine?
The InChIKey is KIGACILMUZOVKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrCl2N2O/c16-9-6-11(18)14(7-10(9)17)21-13-4-3-12-8(15(13)19)2-1-5-20-12/h1-7H,19H2.
What are the key properties of 6-(4-bromo-2,5-dichlorophenoxy)quinolin-5-amine?
6-(4-bromo-2,5-dichlorophenoxy)quinolin-5-amine has a molecular weight of 384.06 g/mol, XLogP of 5.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromo-2,5-dichlorophenoxy)quinolin-5-amine is sourced from PubChem (CID 107655292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).