8-bromo-6-(bromomethyl)quinoline;8-bromo-6-tert-butylquinoline;8-bromo-6-ethylquinoline;methane;molecular iodine

C35H35Br4I2N3 — CID 157103065

IUPAC8-bromo-6-(bromomethyl)quinoline;8-bromo-6-tert-butylquinoline;8-bromo-6-ethylquinoline;methane;molecular iodine
SMILESBrCc1cc(Br)c2ncccc2c1.C.CC(C)(C)c1cc(Br)c2ncccc2c1.CCc1cc(Br)c2ncccc2c1.II
InChIInChI=1S/C13H14BrN.C11H10BrN.C10H7Br2N.CH4.I2/c1-13(2,3)10-7-9-5-4-6-15-12(9)11(14)8-10;1-2-8-6-9-4-3-5-13-11(9)10(12)7-8;11-6-7-4-8-2-1-3-13-10(8)9(12)5-7;;1-2/h4-8H,1-3H3;3-7H,2H2,1H3;1-5H,6H2;1H4;
InChIKeyAFZIJHSDDNNSRC-UHFFFAOYSA-N
MW1071.11 g/mol
LogP14.15
Rot. Bonds2

About 8-bromo-6-(bromomethyl)quinoline;8-bromo-6-tert-butylquinoline;8-bromo-6-ethylquinoline;methane;molecular iodine

8-bromo-6-(bromomethyl)quinoline;8-bromo-6-tert-butylquinoline;8-bromo-6-ethylquinoline;methane;molecular iodine (PubChem CID 157103065) has the molecular formula C35H35Br4I2N3 and a molecular weight of 1071.11 g/mol. Its IUPAC name is 8-bromo-6-(bromomethyl)quinoline;8-bromo-6-tert-butylquinoline;8-bromo-6-ethylquinoline;methane;molecular iodine.

Molecular Properties

Compound Name8-bromo-6-(bromomethyl)quinoline;8-bromo-6-tert-butylquinoline;8-bromo-6-ethylquinoline;methane;molecular iodine
PubChem CID157103065
Molecular FormulaC35H35Br4I2N3
Molecular Weight1071.11 g/mol
Exact Mass1066.77
IUPAC Name8-bromo-6-(bromomethyl)quinoline;8-bromo-6-tert-butylquinoline;8-bromo-6-ethylquinoline;methane;molecular iodine
SMILESBrCc1cc(Br)c2ncccc2c1.C.CC(C)(C)c1cc(Br)c2ncccc2c1.CCc1cc(Br)c2ncccc2c1.II
InChIInChI=1S/C13H14BrN.C11H10BrN.C10H7Br2N.CH4.I2/c1-13(2,3)10-7-9-5-4-6-15-12(9)11(14)8-10;1-2-8-6-9-4-3-5-13-11(9)10(12)7-8;11-6-7-4-8-2-1-3-13-10(8)9(12)5-7;;1-2/h4-8H,1-3H3;3-7H,2H2,1H3;1-5H,6H2;1H4;
InChIKeyAFZIJHSDDNNSRC-UHFFFAOYSA-N
XLogP14.15
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001071.11
LogP ≤ 514.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 8-bromo-6-(bromomethyl)quinoline;8-bromo-6-tert-butylquinoline;8-bromo-6-ethylquinoline;methane;molecular iodine with MolForge

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Related Compounds

8-bromo-6-ethylquinoline
CID 19381206
8-bromo-6-(2-bromoethyl)quinoline
CID 174405636
6-ethyl-8-methoxyquinoline
CID 137438692
6-ethyl-8-[3-(trifluoromethyl)phenyl]quinoline
CID 19381152
12,25-ditert-butyl-8,21-diazaheptacyclo[13.11.1.12,10.04,9.017,22.023,27.014,28]octacosa-1(26),2(28),3,5,7,9,11,13,15(27),16,18,20,22,24-tetradecaene
CID 132549358
1-(4-ethylphenyl)-1-quinolin-8-ylethanamine
CID 81197487
ethyl 2-[2-[(8-bromoquinolin-6-yl)methoxy]phenyl]acetate
CID 139561384
1-(6-ethylquinolin-8-yl)oxybut-3-yn-2-one
CID 156718074
carbon dioxide;ethyl 2-(6-tert-butylquinolin-8-yl)-6-(4-ethyl-2-pyridinyl)pyridine-4-carboxylate
CID 162177241
ethane;ethylbenzene;6-ethylquinoline
CID 143817758
N-[(3-bromo-4-fluorophenyl)methyl]-6-chloroquinolin-8-amine
CID 43672441
8-ethyl-1,7-naphthyridin-6-amine
CID 53237023

Frequently Asked Questions

What is the IUPAC name of 8-bromo-6-(bromomethyl)quinoline;8-bromo-6-tert-butylquinoline;8-bromo-6-ethylquinoline;methane;molecular iodine?
The IUPAC name of 8-bromo-6-(bromomethyl)quinoline;8-bromo-6-tert-butylquinoline;8-bromo-6-ethylquinoline;methane;molecular iodine (CID 157103065) is 8-bromo-6-(bromomethyl)quinoline;8-bromo-6-tert-butylquinoline;8-bromo-6-ethylquinoline;methane;molecular iodine.
What is the SMILES notation for 8-bromo-6-(bromomethyl)quinoline;8-bromo-6-tert-butylquinoline;8-bromo-6-ethylquinoline;methane;molecular iodine?
The canonical SMILES for 8-bromo-6-(bromomethyl)quinoline;8-bromo-6-tert-butylquinoline;8-bromo-6-ethylquinoline;methane;molecular iodine is BrCc1cc(Br)c2ncccc2c1.C.CC(C)(C)c1cc(Br)c2ncccc2c1.CCc1cc(Br)c2ncccc2c1.II.
What is the InChIKey of 8-bromo-6-(bromomethyl)quinoline;8-bromo-6-tert-butylquinoline;8-bromo-6-ethylquinoline;methane;molecular iodine?
The InChIKey is AFZIJHSDDNNSRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN.C11H10BrN.C10H7Br2N.CH4.I2/c1-13(2,3)10-7-9-5-4-6-15-12(9)11(14)8-10;1-2-8-6-9-4-3-5-13-11(9)10(12)7-8;11-6-7-4-8-2-1-3-13-10(8)9(12)5-7;;1-2/h4-8H,1-3H3;3-7H,2H2,1H3;1-5H,6H2;1H4;.
What are the key properties of 8-bromo-6-(bromomethyl)quinoline;8-bromo-6-tert-butylquinoline;8-bromo-6-ethylquinoline;methane;molecular iodine?
8-bromo-6-(bromomethyl)quinoline;8-bromo-6-tert-butylquinoline;8-bromo-6-ethylquinoline;methane;molecular iodine has a molecular weight of 1071.11 g/mol, XLogP of 14.15, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-6-(bromomethyl)quinoline;8-bromo-6-tert-butylquinoline;8-bromo-6-ethylquinoline;methane;molecular iodine is sourced from PubChem (CID 157103065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).