8-bromo-2,4-dichloro-5-methoxyquinoline;2,4-dichloro-5-methoxyquinoline

C20H13BrCl4N2O2 — CID 158822791

IUPAC8-bromo-2,4-dichloro-5-methoxyquinoline;2,4-dichloro-5-methoxyquinoline
SMILESCOc1ccc(Br)c2nc(Cl)cc(Cl)c12.COc1cccc2nc(Cl)cc(Cl)c12
InChIInChI=1S/C10H6BrCl2NO.C10H7Cl2NO/c1-15-7-3-2-5(11)10-9(7)6(12)4-8(13)14-10;1-14-8-4-2-3-7-10(8)6(11)5-9(12)13-7/h2-4H,1H3;2-5H,1H3
InChIKeyIWBSHEHPJVUUGL-UHFFFAOYSA-N
MW535.05 g/mol
LogP7.86
Rot. Bonds2

About 8-bromo-2,4-dichloro-5-methoxyquinoline;2,4-dichloro-5-methoxyquinoline

8-bromo-2,4-dichloro-5-methoxyquinoline;2,4-dichloro-5-methoxyquinoline (PubChem CID 158822791) has the molecular formula C20H13BrCl4N2O2 and a molecular weight of 535.05 g/mol. Its IUPAC name is 8-bromo-2,4-dichloro-5-methoxyquinoline;2,4-dichloro-5-methoxyquinoline.

Molecular Properties

Compound Name8-bromo-2,4-dichloro-5-methoxyquinoline;2,4-dichloro-5-methoxyquinoline
PubChem CID158822791
Molecular FormulaC20H13BrCl4N2O2
Molecular Weight535.05 g/mol
Exact Mass531.89
IUPAC Name8-bromo-2,4-dichloro-5-methoxyquinoline;2,4-dichloro-5-methoxyquinoline
SMILESCOc1ccc(Br)c2nc(Cl)cc(Cl)c12.COc1cccc2nc(Cl)cc(Cl)c12
InChIInChI=1S/C10H6BrCl2NO.C10H7Cl2NO/c1-15-7-3-2-5(11)10-9(7)6(12)4-8(13)14-10;1-14-8-4-2-3-7-10(8)6(11)5-9(12)13-7/h2-4H,1H3;2-5H,1H3
InChIKeyIWBSHEHPJVUUGL-UHFFFAOYSA-N
XLogP7.86
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.05
LogP ≤ 57.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 8-bromo-2,4-dichloro-5-methoxyquinoline;2,4-dichloro-5-methoxyquinoline?
The IUPAC name of 8-bromo-2,4-dichloro-5-methoxyquinoline;2,4-dichloro-5-methoxyquinoline (CID 158822791) is 8-bromo-2,4-dichloro-5-methoxyquinoline;2,4-dichloro-5-methoxyquinoline.
What is the SMILES notation for 8-bromo-2,4-dichloro-5-methoxyquinoline;2,4-dichloro-5-methoxyquinoline?
The canonical SMILES for 8-bromo-2,4-dichloro-5-methoxyquinoline;2,4-dichloro-5-methoxyquinoline is COc1ccc(Br)c2nc(Cl)cc(Cl)c12.COc1cccc2nc(Cl)cc(Cl)c12.
What is the InChIKey of 8-bromo-2,4-dichloro-5-methoxyquinoline;2,4-dichloro-5-methoxyquinoline?
The InChIKey is IWBSHEHPJVUUGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrCl2NO.C10H7Cl2NO/c1-15-7-3-2-5(11)10-9(7)6(12)4-8(13)14-10;1-14-8-4-2-3-7-10(8)6(11)5-9(12)13-7/h2-4H,1H3;2-5H,1H3.
What are the key properties of 8-bromo-2,4-dichloro-5-methoxyquinoline;2,4-dichloro-5-methoxyquinoline?
8-bromo-2,4-dichloro-5-methoxyquinoline;2,4-dichloro-5-methoxyquinoline has a molecular weight of 535.05 g/mol, XLogP of 7.86, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-2,4-dichloro-5-methoxyquinoline;2,4-dichloro-5-methoxyquinoline is sourced from PubChem (CID 158822791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).