3-bromo-7-phenylmethoxyquinoline

C16H12BrNO — CID 25139403

IUPAC3-bromo-7-phenylmethoxyquinoline
SMILESBrc1cnc2cc(OCc3ccccc3)ccc2c1
InChIInChI=1S/C16H12BrNO/c17-14-8-13-6-7-15(9-16(13)18-10-14)19-11-12-4-2-1-3-5-12/h1-10H,11H2
InChIKeyUBEOQHNDEJEXFO-UHFFFAOYSA-N
MW314.18 g/mol
LogP4.58
Rot. Bonds3

About 3-bromo-7-phenylmethoxyquinoline

3-bromo-7-phenylmethoxyquinoline (PubChem CID 25139403) has the molecular formula C16H12BrNO and a molecular weight of 314.18 g/mol. Its IUPAC name is 3-bromo-7-phenylmethoxyquinoline.

Molecular Properties

Compound Name3-bromo-7-phenylmethoxyquinoline
PubChem CID25139403
Molecular FormulaC16H12BrNO
Molecular Weight314.18 g/mol
Exact Mass313.01
IUPAC Name3-bromo-7-phenylmethoxyquinoline
SMILESBrc1cnc2cc(OCc3ccccc3)ccc2c1
InChIInChI=1S/C16H12BrNO/c17-14-8-13-6-7-15(9-16(13)18-10-14)19-11-12-4-2-1-3-5-12/h1-10H,11H2
InChIKeyUBEOQHNDEJEXFO-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 3-bromo-7-phenylmethoxyquinoline?
The IUPAC name of 3-bromo-7-phenylmethoxyquinoline (CID 25139403) is 3-bromo-7-phenylmethoxyquinoline.
What is the SMILES notation for 3-bromo-7-phenylmethoxyquinoline?
The canonical SMILES for 3-bromo-7-phenylmethoxyquinoline is Brc1cnc2cc(OCc3ccccc3)ccc2c1.
What is the InChIKey of 3-bromo-7-phenylmethoxyquinoline?
The InChIKey is UBEOQHNDEJEXFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrNO/c17-14-8-13-6-7-15(9-16(13)18-10-14)19-11-12-4-2-1-3-5-12/h1-10H,11H2.
What are the key properties of 3-bromo-7-phenylmethoxyquinoline?
3-bromo-7-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 3-bromo-7-phenylmethoxyquinoline is sourced from PubChem (CID 25139403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).