6-bromo-2-(2-phenylethyl)quinoline

C17H14BrN — CID 59459867

IUPAC6-bromo-2-(2-phenylethyl)quinoline
SMILESBrc1ccc2nc(CCc3ccccc3)ccc2c1
InChIInChI=1S/C17H14BrN/c18-15-8-11-17-14(12-15)7-10-16(19-17)9-6-13-4-2-1-3-5-13/h1-5,7-8,10-12H,6,9H2
InChIKeyZAGYPACJYNAUAI-UHFFFAOYSA-N
MW312.21 g/mol
LogP4.78
Rot. Bonds3

About 6-bromo-2-(2-phenylethyl)quinoline

6-bromo-2-(2-phenylethyl)quinoline (PubChem CID 59459867) has the molecular formula C17H14BrN and a molecular weight of 312.21 g/mol. Its IUPAC name is 6-bromo-2-(2-phenylethyl)quinoline.

Molecular Properties

Compound Name6-bromo-2-(2-phenylethyl)quinoline
PubChem CID59459867
Molecular FormulaC17H14BrN
Molecular Weight312.21 g/mol
Exact Mass311.03
IUPAC Name6-bromo-2-(2-phenylethyl)quinoline
SMILESBrc1ccc2nc(CCc3ccccc3)ccc2c1
InChIInChI=1S/C17H14BrN/c18-15-8-11-17-14(12-15)7-10-16(19-17)9-6-13-4-2-1-3-5-13/h1-5,7-8,10-12H,6,9H2
InChIKeyZAGYPACJYNAUAI-UHFFFAOYSA-N
XLogP4.78
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.21
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-bromo-2-(iodomethyl)quinoline
CID 89441334
2-[2-(3-methylphenyl)ethyl]quinoline
CID 71620221
6-bromo-2-(4-phenylmethoxyphenoxy)quinoline
CID 141463365
2-(4-benzylpiperidin-1-yl)-6-bromoquinoline
CID 25139392
7-bromo-N-(2-phenylethyl)-1,2,4-benzotriazin-3-amine
CID 45103445
6-bromo-1-(2-phenylethyl)benzimidazol-2-amine
CID 65346773
1-(6-bromonaphthalen-2-yl)-3-phenylpropan-1-one
CID 114962828
2-[6-(2-phenylethyl)-2-pyridinyl]ethanol
CID 117001687
CID 88620951
CID 88620951
6-bromo-2-(tribromomethyl)quinoline
CID 59321582
benzene;2-phenylethylbenzene
CID 18982764
4-bromo-6-(2-phenylethyl)pyrimidine
CID 121205692

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(2-phenylethyl)quinoline?
The IUPAC name of 6-bromo-2-(2-phenylethyl)quinoline (CID 59459867) is 6-bromo-2-(2-phenylethyl)quinoline.
What is the SMILES notation for 6-bromo-2-(2-phenylethyl)quinoline?
The canonical SMILES for 6-bromo-2-(2-phenylethyl)quinoline is Brc1ccc2nc(CCc3ccccc3)ccc2c1.
What is the InChIKey of 6-bromo-2-(2-phenylethyl)quinoline?
The InChIKey is ZAGYPACJYNAUAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrN/c18-15-8-11-17-14(12-15)7-10-16(19-17)9-6-13-4-2-1-3-5-13/h1-5,7-8,10-12H,6,9H2.
What are the key properties of 6-bromo-2-(2-phenylethyl)quinoline?
6-bromo-2-(2-phenylethyl)quinoline has a molecular weight of 312.21 g/mol, XLogP of 4.78, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(2-phenylethyl)quinoline is sourced from PubChem (CID 59459867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).