2-[2-bromo-2-(3-bromophenyl)ethyl]quinoline

C17H13Br2N — CID 66461440

IUPAC2-[2-bromo-2-(3-bromophenyl)ethyl]quinoline
SMILESBrc1cccc(C(Br)Cc2ccc3ccccc3n2)c1
InChIInChI=1S/C17H13Br2N/c18-14-6-3-5-13(10-14)16(19)11-15-9-8-12-4-1-2-7-17(12)20-15/h1-10,16H,11H2
InChIKeyYOEWMJTWXXBDSK-UHFFFAOYSA-N
MW391.11 g/mol
LogP5.68
Rot. Bonds3

About 2-[2-bromo-2-(3-bromophenyl)ethyl]quinoline

2-[2-bromo-2-(3-bromophenyl)ethyl]quinoline (PubChem CID 66461440) has the molecular formula C17H13Br2N and a molecular weight of 391.11 g/mol. Its IUPAC name is 2-[2-bromo-2-(3-bromophenyl)ethyl]quinoline.

Molecular Properties

Compound Name2-[2-bromo-2-(3-bromophenyl)ethyl]quinoline
PubChem CID66461440
Molecular FormulaC17H13Br2N
Molecular Weight391.11 g/mol
Exact Mass388.94
IUPAC Name2-[2-bromo-2-(3-bromophenyl)ethyl]quinoline
SMILESBrc1cccc(C(Br)Cc2ccc3ccccc3n2)c1
InChIInChI=1S/C17H13Br2N/c18-14-6-3-5-13(10-14)16(19)11-15-9-8-12-4-1-2-7-17(12)20-15/h1-10,16H,11H2
InChIKeyYOEWMJTWXXBDSK-UHFFFAOYSA-N
XLogP5.68
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.11
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-[2-bromo-2-(3,5-dimethylphenyl)ethyl]quinoline
CID 66461439
2-[2-bromo-2-(4-methylphenyl)ethyl]quinoline
CID 66459842
2-[2-bromo-2-(3-bromophenyl)ethyl]-1,3-benzoxazole
CID 66459827
2-[2-bromo-2-(2,4-dichlorophenyl)ethyl]quinoline
CID 66459431
2-bromo-3-quinolin-2-ylpropan-1-ol
CID 119086865
(1R)-1-phenyl-2-quinolin-2-ylethanol
CID 92849987
2-[2-bromo-2-(2-chloro-6-fluorophenyl)ethyl]quinoline
CID 66461648
2-[2-(5-bromo-2-chlorophenyl)-2-chloroethyl]quinoline
CID 66460552
1-bromo-3-[1-bromo-2-(4-fluorophenyl)ethyl]benzene
CID 63542087
2-[2-bromo-2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethyl]quinoline
CID 66459039
2-[2-(5-bromo-2-methylphenyl)-2-chloroethyl]quinoline
CID 66459957
3-(1-hydroxy-2-quinolin-2-ylethyl)benzonitrile
CID 115481180

Frequently Asked Questions

What is the IUPAC name of 2-[2-bromo-2-(3-bromophenyl)ethyl]quinoline?
The IUPAC name of 2-[2-bromo-2-(3-bromophenyl)ethyl]quinoline (CID 66461440) is 2-[2-bromo-2-(3-bromophenyl)ethyl]quinoline.
What is the SMILES notation for 2-[2-bromo-2-(3-bromophenyl)ethyl]quinoline?
The canonical SMILES for 2-[2-bromo-2-(3-bromophenyl)ethyl]quinoline is Brc1cccc(C(Br)Cc2ccc3ccccc3n2)c1.
What is the InChIKey of 2-[2-bromo-2-(3-bromophenyl)ethyl]quinoline?
The InChIKey is YOEWMJTWXXBDSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Br2N/c18-14-6-3-5-13(10-14)16(19)11-15-9-8-12-4-1-2-7-17(12)20-15/h1-10,16H,11H2.
What are the key properties of 2-[2-bromo-2-(3-bromophenyl)ethyl]quinoline?
2-[2-bromo-2-(3-bromophenyl)ethyl]quinoline has a molecular weight of 391.11 g/mol, XLogP of 5.68, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-bromo-2-(3-bromophenyl)ethyl]quinoline is sourced from PubChem (CID 66461440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).