6-(8-bromooctoxy)-2-methoxyquinoline

C18H24BrNO2 — CID 66960886

IUPAC6-(8-bromooctoxy)-2-methoxyquinoline
SMILESCOc1ccc2cc(OCCCCCCCCBr)ccc2n1
InChIInChI=1S/C18H24BrNO2/c1-21-18-11-8-15-14-16(9-10-17(15)20-18)22-13-7-5-3-2-4-6-12-19/h8-11,14H,2-7,12-13H2,1H3
InChIKeyJZWMYSZAOJDEHL-UHFFFAOYSA-N
MW366.30 g/mol
LogP5.36
Rot. Bonds10

About 6-(8-bromooctoxy)-2-methoxyquinoline

6-(8-bromooctoxy)-2-methoxyquinoline (PubChem CID 66960886) has the molecular formula C18H24BrNO2 and a molecular weight of 366.30 g/mol. Its IUPAC name is 6-(8-bromooctoxy)-2-methoxyquinoline.

Molecular Properties

Compound Name6-(8-bromooctoxy)-2-methoxyquinoline
PubChem CID66960886
Molecular FormulaC18H24BrNO2
Molecular Weight366.30 g/mol
Exact Mass365.10
IUPAC Name6-(8-bromooctoxy)-2-methoxyquinoline
SMILESCOc1ccc2cc(OCCCCCCCCBr)ccc2n1
InChIInChI=1S/C18H24BrNO2/c1-21-18-11-8-15-14-16(9-10-17(15)20-18)22-13-7-5-3-2-4-6-12-19/h8-11,14H,2-7,12-13H2,1H3
InChIKeyJZWMYSZAOJDEHL-UHFFFAOYSA-N
XLogP5.36
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.30
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(20-bromoicosoxy)-4-methoxybenzene
CID 15444591
2-(9-bromononoxy)-6-methylnaphthalene
CID 118670324
3-butoxy-8-hexoxybenzo[f]quinoline
CID 21267338
3-heptoxy-8-hexoxybenzo[f]quinoline
CID 21267303
2-(9-bromononoxy)naphthalene
CID 105343234
2-bromo-6-(4-bromobutoxy)naphthalene
CID 43165163
7-(4-bromobutoxy)-2-phenylmethoxyquinoline
CID 134391635
1,2-dibromo-4-(6-bromohexoxy)benzene
CID 141347464
6-methoxy-2-(6-octoxynaphthalen-2-yl)quinoline
CID 122228076
butyl-[4-(3-hexoxybenzo[f]quinolin-8-yl)oxybutyl]-dimethylsilane
CID 19033790
6-ethyl-2-methoxyquinoline
CID 134204287
1,3-bis(10-bromodecoxy)benzene
CID 11800753

Frequently Asked Questions

What is the IUPAC name of 6-(8-bromooctoxy)-2-methoxyquinoline?
The IUPAC name of 6-(8-bromooctoxy)-2-methoxyquinoline (CID 66960886) is 6-(8-bromooctoxy)-2-methoxyquinoline.
What is the SMILES notation for 6-(8-bromooctoxy)-2-methoxyquinoline?
The canonical SMILES for 6-(8-bromooctoxy)-2-methoxyquinoline is COc1ccc2cc(OCCCCCCCCBr)ccc2n1.
What is the InChIKey of 6-(8-bromooctoxy)-2-methoxyquinoline?
The InChIKey is JZWMYSZAOJDEHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24BrNO2/c1-21-18-11-8-15-14-16(9-10-17(15)20-18)22-13-7-5-3-2-4-6-12-19/h8-11,14H,2-7,12-13H2,1H3.
What are the key properties of 6-(8-bromooctoxy)-2-methoxyquinoline?
6-(8-bromooctoxy)-2-methoxyquinoline has a molecular weight of 366.30 g/mol, XLogP of 5.36, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(8-bromooctoxy)-2-methoxyquinoline is sourced from PubChem (CID 66960886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).