8-benzyl-5-bromoquinoline

C16H12BrN — CID 53421162

IUPAC8-benzyl-5-bromoquinoline
SMILESBrc1ccc(Cc2ccccc2)c2ncccc12
InChIInChI=1S/C16H12BrN/c17-15-9-8-13(11-12-5-2-1-3-6-12)16-14(15)7-4-10-18-16/h1-10H,11H2
InChIKeyJLEDGTJYKPLNAD-UHFFFAOYSA-N
MW298.18 g/mol
LogP4.59
Rot. Bonds2

About 8-benzyl-5-bromoquinoline

8-benzyl-5-bromoquinoline (PubChem CID 53421162) has the molecular formula C16H12BrN and a molecular weight of 298.18 g/mol. Its IUPAC name is 8-benzyl-5-bromoquinoline.

Molecular Properties

Compound Name8-benzyl-5-bromoquinoline
PubChem CID53421162
Molecular FormulaC16H12BrN
Molecular Weight298.18 g/mol
Exact Mass297.02
IUPAC Name8-benzyl-5-bromoquinoline
SMILESBrc1ccc(Cc2ccccc2)c2ncccc12
InChIInChI=1S/C16H12BrN/c17-15-9-8-13(11-12-5-2-1-3-6-12)16-14(15)7-4-10-18-16/h1-10H,11H2
InChIKeyJLEDGTJYKPLNAD-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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Related Compounds

(5-bromoquinolin-8-yl)methoxy-iodophosphane
CID 144950979
N-[(5-bromoquinolin-8-yl)methyl]-1-phenylethanamine
CID 115958942
1-(5-bromoquinolin-8-yl)-N-(pyridin-2-ylmethyl)methanamine
CID 115959018
1-(5-bromoquinolin-8-yl)-N-[(2-methylpropan-2-yl)oxy]methanamine
CID 112617826
4-(5-bromoquinolin-8-yl)-N-methylbutan-2-amine
CID 112618640
4-[[(5-bromoquinolin-8-yl)methylamino]methyl]phenol
CID 115968064
4-bromo-N-[(5-bromoquinolin-8-yl)methyl]aniline
CID 115958989
5-bromo-8-(1H-imidazol-2-ylmethoxymethyl)quinoline
CID 75454543
N-[(5-bromoquinolin-8-yl)methyl]pyridin-3-amine
CID 112617652
N-[(5-bromoquinolin-8-yl)methyl]-1-methylcyclopropan-1-amine
CID 115968174
4-[(5-bromoquinolin-8-yl)methylamino]phenol
CID 115959175
N-[(5-bromoquinolin-8-yl)methyl]butan-1-amine
CID 112617660

Frequently Asked Questions

What is the IUPAC name of 8-benzyl-5-bromoquinoline?
The IUPAC name of 8-benzyl-5-bromoquinoline (CID 53421162) is 8-benzyl-5-bromoquinoline.
What is the SMILES notation for 8-benzyl-5-bromoquinoline?
The canonical SMILES for 8-benzyl-5-bromoquinoline is Brc1ccc(Cc2ccccc2)c2ncccc12.
What is the InChIKey of 8-benzyl-5-bromoquinoline?
The InChIKey is JLEDGTJYKPLNAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrN/c17-15-9-8-13(11-12-5-2-1-3-6-12)16-14(15)7-4-10-18-16/h1-10H,11H2.
What are the key properties of 8-benzyl-5-bromoquinoline?
8-benzyl-5-bromoquinoline 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 8-benzyl-5-bromoquinoline is sourced from PubChem (CID 53421162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).