3-[(4-bromophenyl)methyl]quinoline

C16H12BrN — CID 67155836

IUPAC3-[(4-bromophenyl)methyl]quinoline
SMILESBrc1ccc(Cc2cnc3ccccc3c2)cc1
InChIInChI=1S/C16H12BrN/c17-15-7-5-12(6-8-15)9-13-10-14-3-1-2-4-16(14)18-11-13/h1-8,10-11H,9H2
InChIKeyWLFGAUBQFLBNST-UHFFFAOYSA-N
MW298.18 g/mol
LogP4.59
Rot. Bonds2

About 3-[(4-bromophenyl)methyl]quinoline

3-[(4-bromophenyl)methyl]quinoline (PubChem CID 67155836) has the molecular formula C16H12BrN and a molecular weight of 298.18 g/mol. Its IUPAC name is 3-[(4-bromophenyl)methyl]quinoline.

Molecular Properties

Compound Name3-[(4-bromophenyl)methyl]quinoline
PubChem CID67155836
Molecular FormulaC16H12BrN
Molecular Weight298.18 g/mol
Exact Mass297.02
IUPAC Name3-[(4-bromophenyl)methyl]quinoline
SMILESBrc1ccc(Cc2cnc3ccccc3c2)cc1
InChIInChI=1S/C16H12BrN/c17-15-7-5-12(6-8-15)9-13-10-14-3-1-2-4-16(14)18-11-13/h1-8,10-11H,9H2
InChIKeyWLFGAUBQFLBNST-UHFFFAOYSA-N
XLogP4.59
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.18
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromophenyl)methyl]quinoline?
The IUPAC name of 3-[(4-bromophenyl)methyl]quinoline (CID 67155836) is 3-[(4-bromophenyl)methyl]quinoline.
What is the SMILES notation for 3-[(4-bromophenyl)methyl]quinoline?
The canonical SMILES for 3-[(4-bromophenyl)methyl]quinoline is Brc1ccc(Cc2cnc3ccccc3c2)cc1.
What is the InChIKey of 3-[(4-bromophenyl)methyl]quinoline?
The InChIKey is WLFGAUBQFLBNST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrN/c17-15-7-5-12(6-8-15)9-13-10-14-3-1-2-4-16(14)18-11-13/h1-8,10-11H,9H2.
What are the key properties of 3-[(4-bromophenyl)methyl]quinoline?
3-[(4-bromophenyl)methyl]quinoline has a molecular weight of 298.18 g/mol, XLogP of 4.59, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromophenyl)methyl]quinoline is sourced from PubChem (CID 67155836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).