5,8-dibromo-2-chloro-3-propan-2-ylquinoline

C12H10Br2ClN — CID 63530368

IUPAC5,8-dibromo-2-chloro-3-propan-2-ylquinoline
SMILESCC(C)c1cc2c(Br)ccc(Br)c2nc1Cl
InChIInChI=1S/C12H10Br2ClN/c1-6(2)7-5-8-9(13)3-4-10(14)11(8)16-12(7)15/h3-6H,1-2H3
InChIKeyYORKSZLPBZQJID-UHFFFAOYSA-N
MW363.48 g/mol
LogP5.54
Rot. Bonds1

About 5,8-dibromo-2-chloro-3-propan-2-ylquinoline

5,8-dibromo-2-chloro-3-propan-2-ylquinoline (PubChem CID 63530368) has the molecular formula C12H10Br2ClN and a molecular weight of 363.48 g/mol. Its IUPAC name is 5,8-dibromo-2-chloro-3-propan-2-ylquinoline.

Molecular Properties

Compound Name5,8-dibromo-2-chloro-3-propan-2-ylquinoline
PubChem CID63530368
Molecular FormulaC12H10Br2ClN
Molecular Weight363.48 g/mol
Exact Mass360.89
IUPAC Name5,8-dibromo-2-chloro-3-propan-2-ylquinoline
SMILESCC(C)c1cc2c(Br)ccc(Br)c2nc1Cl
InChIInChI=1S/C12H10Br2ClN/c1-6(2)7-5-8-9(13)3-4-10(14)11(8)16-12(7)15/h3-6H,1-2H3
InChIKeyYORKSZLPBZQJID-UHFFFAOYSA-N
XLogP5.54
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.48
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 5,8-dibromo-2-chloro-3-propan-2-ylquinoline?
The IUPAC name of 5,8-dibromo-2-chloro-3-propan-2-ylquinoline (CID 63530368) is 5,8-dibromo-2-chloro-3-propan-2-ylquinoline.
What is the SMILES notation for 5,8-dibromo-2-chloro-3-propan-2-ylquinoline?
The canonical SMILES for 5,8-dibromo-2-chloro-3-propan-2-ylquinoline is CC(C)c1cc2c(Br)ccc(Br)c2nc1Cl.
What is the InChIKey of 5,8-dibromo-2-chloro-3-propan-2-ylquinoline?
The InChIKey is YORKSZLPBZQJID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Br2ClN/c1-6(2)7-5-8-9(13)3-4-10(14)11(8)16-12(7)15/h3-6H,1-2H3.
What are the key properties of 5,8-dibromo-2-chloro-3-propan-2-ylquinoline?
5,8-dibromo-2-chloro-3-propan-2-ylquinoline has a molecular weight of 363.48 g/mol, XLogP of 5.54, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dibromo-2-chloro-3-propan-2-ylquinoline is sourced from PubChem (CID 63530368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).