4-methyl-2-(2,2,2-tribromoethyl)quinoline

C12H10Br3N — CID 54392540

IUPAC4-methyl-2-(2,2,2-tribromoethyl)quinoline
SMILESCc1cc(CC(Br)(Br)Br)nc2ccccc12
InChIInChI=1S/C12H10Br3N/c1-8-6-9(7-12(13,14)15)16-11-5-3-2-4-10(8)11/h2-6H,7H2,1H3
InChIKeyVHRHVZJMLMTBQN-UHFFFAOYSA-N
MW407.93 g/mol
LogP4.92
Rot. Bonds1

About 4-methyl-2-(2,2,2-tribromoethyl)quinoline

4-methyl-2-(2,2,2-tribromoethyl)quinoline (PubChem CID 54392540) has the molecular formula C12H10Br3N and a molecular weight of 407.93 g/mol. Its IUPAC name is 4-methyl-2-(2,2,2-tribromoethyl)quinoline.

Molecular Properties

Compound Name4-methyl-2-(2,2,2-tribromoethyl)quinoline
PubChem CID54392540
Molecular FormulaC12H10Br3N
Molecular Weight407.93 g/mol
Exact Mass404.84
IUPAC Name4-methyl-2-(2,2,2-tribromoethyl)quinoline
SMILESCc1cc(CC(Br)(Br)Br)nc2ccccc12
InChIInChI=1S/C12H10Br3N/c1-8-6-9(7-12(13,14)15)16-11-5-3-2-4-10(8)11/h2-6H,7H2,1H3
InChIKeyVHRHVZJMLMTBQN-UHFFFAOYSA-N
XLogP4.92
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.93
LogP ≤ 54.92
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-bromoethyl)-4-methylquinoline
CID 174495711
4-methyl-2-(4,4,4-trifluorobutyl)quinoline
CID 164668878
4-methyl-2-(methylsulfanylmethyl)quinoline
CID 144941191
2-hexyl-4-methylquinoline
CID 504074
N-methyl-2-(4-methylquinolin-2-yl)ethanamine
CID 84619682
2-[(2-dodecylphenyl)methyl]-4-methylquinoline
CID 21119624
4-methylquinoline-2-carbaldehyde
CID 12735795
2-[(4-methylquinolin-2-yl)methylsulfanyl]benzoic acid
CID 26608952
2-(2-hydroxy-2-methylpropyl)quinoline-4-carboxylic acid
CID 9350367
ethane;2-ethoxy-4-methylquinoline
CID 142037221
O-(4-methylquinolin-2-yl)hydroxylamine
CID 121366650
2-methyl-1-(4-methyl-6-phenylmethoxyquinolin-2-yl)propan-2-amine
CID 82577312

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(2,2,2-tribromoethyl)quinoline?
The IUPAC name of 4-methyl-2-(2,2,2-tribromoethyl)quinoline (CID 54392540) is 4-methyl-2-(2,2,2-tribromoethyl)quinoline.
What is the SMILES notation for 4-methyl-2-(2,2,2-tribromoethyl)quinoline?
The canonical SMILES for 4-methyl-2-(2,2,2-tribromoethyl)quinoline is Cc1cc(CC(Br)(Br)Br)nc2ccccc12.
What is the InChIKey of 4-methyl-2-(2,2,2-tribromoethyl)quinoline?
The InChIKey is VHRHVZJMLMTBQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Br3N/c1-8-6-9(7-12(13,14)15)16-11-5-3-2-4-10(8)11/h2-6H,7H2,1H3.
What are the key properties of 4-methyl-2-(2,2,2-tribromoethyl)quinoline?
4-methyl-2-(2,2,2-tribromoethyl)quinoline has a molecular weight of 407.93 g/mol, XLogP of 4.92, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(2,2,2-tribromoethyl)quinoline is sourced from PubChem (CID 54392540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).