3-bromo-2,4-dichloro-6,8-dimethoxyquinoline

C11H8BrCl2NO2 — CID 97181901

IUPAC3-bromo-2,4-dichloro-6,8-dimethoxyquinoline
SMILESCOc1cc(OC)c2nc(Cl)c(Br)c(Cl)c2c1
InChIInChI=1S/C11H8BrCl2NO2/c1-16-5-3-6-9(13)8(12)11(14)15-10(6)7(4-5)17-2/h3-4H,1-2H3
InChIKeyDSHCMAWBLLEISD-UHFFFAOYSA-N
MW337.00 g/mol
LogP4.32
Rot. Bonds2

About 3-bromo-2,4-dichloro-6,8-dimethoxyquinoline

3-bromo-2,4-dichloro-6,8-dimethoxyquinoline (PubChem CID 97181901) has the molecular formula C11H8BrCl2NO2 and a molecular weight of 337.00 g/mol. Its IUPAC name is 3-bromo-2,4-dichloro-6,8-dimethoxyquinoline.

Molecular Properties

Compound Name3-bromo-2,4-dichloro-6,8-dimethoxyquinoline
PubChem CID97181901
Molecular FormulaC11H8BrCl2NO2
Molecular Weight337.00 g/mol
Exact Mass334.91
IUPAC Name3-bromo-2,4-dichloro-6,8-dimethoxyquinoline
SMILESCOc1cc(OC)c2nc(Cl)c(Br)c(Cl)c2c1
InChIInChI=1S/C11H8BrCl2NO2/c1-16-5-3-6-9(13)8(12)11(14)15-10(6)7(4-5)17-2/h3-4H,1-2H3
InChIKeyDSHCMAWBLLEISD-UHFFFAOYSA-N
XLogP4.32
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.00
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2,4-dichloro-6,8-dimethoxyquinoline?
The IUPAC name of 3-bromo-2,4-dichloro-6,8-dimethoxyquinoline (CID 97181901) is 3-bromo-2,4-dichloro-6,8-dimethoxyquinoline.
What is the SMILES notation for 3-bromo-2,4-dichloro-6,8-dimethoxyquinoline?
The canonical SMILES for 3-bromo-2,4-dichloro-6,8-dimethoxyquinoline is COc1cc(OC)c2nc(Cl)c(Br)c(Cl)c2c1.
What is the InChIKey of 3-bromo-2,4-dichloro-6,8-dimethoxyquinoline?
The InChIKey is DSHCMAWBLLEISD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrCl2NO2/c1-16-5-3-6-9(13)8(12)11(14)15-10(6)7(4-5)17-2/h3-4H,1-2H3.
What are the key properties of 3-bromo-2,4-dichloro-6,8-dimethoxyquinoline?
3-bromo-2,4-dichloro-6,8-dimethoxyquinoline has a molecular weight of 337.00 g/mol, XLogP of 4.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2,4-dichloro-6,8-dimethoxyquinoline is sourced from PubChem (CID 97181901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).