3-bromo-4-chloro-6-(4-methylphenoxy)quinoline

C16H11BrClNO — CID 114759872

IUPAC3-bromo-4-chloro-6-(4-methylphenoxy)quinoline
SMILESCc1ccc(Oc2ccc3ncc(Br)c(Cl)c3c2)cc1
InChIInChI=1S/C16H11BrClNO/c1-10-2-4-11(5-3-10)20-12-6-7-15-13(8-12)16(18)14(17)9-19-15/h2-9H,1H3
InChIKeySEDUBISESKUCHR-UHFFFAOYSA-N
MW348.63 g/mol
LogP5.75
Rot. Bonds2

About 3-bromo-4-chloro-6-(4-methylphenoxy)quinoline

3-bromo-4-chloro-6-(4-methylphenoxy)quinoline (PubChem CID 114759872) has the molecular formula C16H11BrClNO and a molecular weight of 348.63 g/mol. Its IUPAC name is 3-bromo-4-chloro-6-(4-methylphenoxy)quinoline.

Molecular Properties

Compound Name3-bromo-4-chloro-6-(4-methylphenoxy)quinoline
PubChem CID114759872
Molecular FormulaC16H11BrClNO
Molecular Weight348.63 g/mol
Exact Mass346.97
IUPAC Name3-bromo-4-chloro-6-(4-methylphenoxy)quinoline
SMILESCc1ccc(Oc2ccc3ncc(Br)c(Cl)c3c2)cc1
InChIInChI=1S/C16H11BrClNO/c1-10-2-4-11(5-3-10)20-12-6-7-15-13(8-12)16(18)14(17)9-19-15/h2-9H,1H3
InChIKeySEDUBISESKUCHR-UHFFFAOYSA-N
XLogP5.75
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.63
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-chloro-6-(4-methylphenoxy)quinoline?
The IUPAC name of 3-bromo-4-chloro-6-(4-methylphenoxy)quinoline (CID 114759872) is 3-bromo-4-chloro-6-(4-methylphenoxy)quinoline.
What is the SMILES notation for 3-bromo-4-chloro-6-(4-methylphenoxy)quinoline?
The canonical SMILES for 3-bromo-4-chloro-6-(4-methylphenoxy)quinoline is Cc1ccc(Oc2ccc3ncc(Br)c(Cl)c3c2)cc1.
What is the InChIKey of 3-bromo-4-chloro-6-(4-methylphenoxy)quinoline?
The InChIKey is SEDUBISESKUCHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrClNO/c1-10-2-4-11(5-3-10)20-12-6-7-15-13(8-12)16(18)14(17)9-19-15/h2-9H,1H3.
What are the key properties of 3-bromo-4-chloro-6-(4-methylphenoxy)quinoline?
3-bromo-4-chloro-6-(4-methylphenoxy)quinoline has a molecular weight of 348.63 g/mol, XLogP of 5.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-chloro-6-(4-methylphenoxy)quinoline is sourced from PubChem (CID 114759872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).