2-bromo-6-(4-methylphenoxy)quinoline

C16H12BrNO — CID 102941044

IUPAC2-bromo-6-(4-methylphenoxy)quinoline
SMILESCc1ccc(Oc2ccc3nc(Br)ccc3c2)cc1
InChIInChI=1S/C16H12BrNO/c1-11-2-5-13(6-3-11)19-14-7-8-15-12(10-14)4-9-16(17)18-15/h2-10H,1H3
InChIKeyRRJBASXIYMGQLR-UHFFFAOYSA-N
MW314.18 g/mol
LogP5.10
Rot. Bonds2

About 2-bromo-6-(4-methylphenoxy)quinoline

2-bromo-6-(4-methylphenoxy)quinoline (PubChem CID 102941044) has the molecular formula C16H12BrNO and a molecular weight of 314.18 g/mol. Its IUPAC name is 2-bromo-6-(4-methylphenoxy)quinoline.

Molecular Properties

Compound Name2-bromo-6-(4-methylphenoxy)quinoline
PubChem CID102941044
Molecular FormulaC16H12BrNO
Molecular Weight314.18 g/mol
Exact Mass313.01
IUPAC Name2-bromo-6-(4-methylphenoxy)quinoline
SMILESCc1ccc(Oc2ccc3nc(Br)ccc3c2)cc1
InChIInChI=1S/C16H12BrNO/c1-11-2-5-13(6-3-11)19-14-7-8-15-12(10-14)4-9-16(17)18-15/h2-10H,1H3
InChIKeyRRJBASXIYMGQLR-UHFFFAOYSA-N
XLogP5.10
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.18
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-(4-methylphenoxy)quinoline?
The IUPAC name of 2-bromo-6-(4-methylphenoxy)quinoline (CID 102941044) is 2-bromo-6-(4-methylphenoxy)quinoline.
What is the SMILES notation for 2-bromo-6-(4-methylphenoxy)quinoline?
The canonical SMILES for 2-bromo-6-(4-methylphenoxy)quinoline is Cc1ccc(Oc2ccc3nc(Br)ccc3c2)cc1.
What is the InChIKey of 2-bromo-6-(4-methylphenoxy)quinoline?
The InChIKey is RRJBASXIYMGQLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrNO/c1-11-2-5-13(6-3-11)19-14-7-8-15-12(10-14)4-9-16(17)18-15/h2-10H,1H3.
What are the key properties of 2-bromo-6-(4-methylphenoxy)quinoline?
2-bromo-6-(4-methylphenoxy)quinoline has a molecular weight of 314.18 g/mol, XLogP of 5.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-(4-methylphenoxy)quinoline is sourced from PubChem (CID 102941044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).