3-(3-bromophenyl)quinoline

C15H10BrN — CID 19889421

IUPAC3-(3-bromophenyl)quinoline
SMILESBrc1cccc(-c2cnc3ccccc3c2)c1
InChIInChI=1S/C15H10BrN/c16-14-6-3-5-11(9-14)13-8-12-4-1-2-7-15(12)17-10-13/h1-10H
InChIKeyIZZKXRUCFMLTKZ-UHFFFAOYSA-N
MW284.16 g/mol
LogP4.66
Rot. Bonds1

About 3-(3-bromophenyl)quinoline

3-(3-bromophenyl)quinoline (PubChem CID 19889421) has the molecular formula C15H10BrN and a molecular weight of 284.16 g/mol. Its IUPAC name is 3-(3-bromophenyl)quinoline.

Molecular Properties

Compound Name3-(3-bromophenyl)quinoline
PubChem CID19889421
Molecular FormulaC15H10BrN
Molecular Weight284.16 g/mol
Exact Mass283.00
IUPAC Name3-(3-bromophenyl)quinoline
SMILESBrc1cccc(-c2cnc3ccccc3c2)c1
InChIInChI=1S/C15H10BrN/c16-14-6-3-5-11(9-14)13-8-12-4-1-2-7-15(12)17-10-13/h1-10H
InChIKeyIZZKXRUCFMLTKZ-UHFFFAOYSA-N
XLogP4.66
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.16
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)quinoline?
The IUPAC name of 3-(3-bromophenyl)quinoline (CID 19889421) is 3-(3-bromophenyl)quinoline.
What is the SMILES notation for 3-(3-bromophenyl)quinoline?
The canonical SMILES for 3-(3-bromophenyl)quinoline is Brc1cccc(-c2cnc3ccccc3c2)c1.
What is the InChIKey of 3-(3-bromophenyl)quinoline?
The InChIKey is IZZKXRUCFMLTKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrN/c16-14-6-3-5-11(9-14)13-8-12-4-1-2-7-15(12)17-10-13/h1-10H.
What are the key properties of 3-(3-bromophenyl)quinoline?
3-(3-bromophenyl)quinoline has a molecular weight of 284.16 g/mol, XLogP of 4.66, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)quinoline is sourced from PubChem (CID 19889421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).