6-bromo-3-phenylmethoxyquinoline

C16H12BrNO — CID 53429182

IUPAC6-bromo-3-phenylmethoxyquinoline
SMILESBrc1ccc2ncc(OCc3ccccc3)cc2c1
InChIInChI=1S/C16H12BrNO/c17-14-6-7-16-13(8-14)9-15(10-18-16)19-11-12-4-2-1-3-5-12/h1-10H,11H2
InChIKeyJTGWMVGBLXTZAL-UHFFFAOYSA-N
MW314.18 g/mol
LogP4.58
Rot. Bonds3

About 6-bromo-3-phenylmethoxyquinoline

6-bromo-3-phenylmethoxyquinoline (PubChem CID 53429182) has the molecular formula C16H12BrNO and a molecular weight of 314.18 g/mol. Its IUPAC name is 6-bromo-3-phenylmethoxyquinoline.

Molecular Properties

Compound Name6-bromo-3-phenylmethoxyquinoline
PubChem CID53429182
Molecular FormulaC16H12BrNO
Molecular Weight314.18 g/mol
Exact Mass313.01
IUPAC Name6-bromo-3-phenylmethoxyquinoline
SMILESBrc1ccc2ncc(OCc3ccccc3)cc2c1
InChIInChI=1S/C16H12BrNO/c17-14-6-7-16-13(8-14)9-15(10-18-16)19-11-12-4-2-1-3-5-12/h1-10H,11H2
InChIKeyJTGWMVGBLXTZAL-UHFFFAOYSA-N
XLogP4.58
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.18
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-phenylmethoxyquinoline?
The IUPAC name of 6-bromo-3-phenylmethoxyquinoline (CID 53429182) is 6-bromo-3-phenylmethoxyquinoline.
What is the SMILES notation for 6-bromo-3-phenylmethoxyquinoline?
The canonical SMILES for 6-bromo-3-phenylmethoxyquinoline is Brc1ccc2ncc(OCc3ccccc3)cc2c1.
What is the InChIKey of 6-bromo-3-phenylmethoxyquinoline?
The InChIKey is JTGWMVGBLXTZAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrNO/c17-14-6-7-16-13(8-14)9-15(10-18-16)19-11-12-4-2-1-3-5-12/h1-10H,11H2.
What are the key properties of 6-bromo-3-phenylmethoxyquinoline?
6-bromo-3-phenylmethoxyquinoline has a molecular weight of 314.18 g/mol, XLogP of 4.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-phenylmethoxyquinoline is sourced from PubChem (CID 53429182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).