6-bromo-2-chloro-3-(3-chloropropyl)quinoline

C12H10BrCl2N — CID 11174594

IUPAC6-bromo-2-chloro-3-(3-chloropropyl)quinoline
SMILESClCCCc1cc2cc(Br)ccc2nc1Cl
InChIInChI=1S/C12H10BrCl2N/c13-10-3-4-11-9(7-10)6-8(2-1-5-14)12(15)16-11/h3-4,6-7H,1-2,5H2
InChIKeyTXFYWKRMBNDVDS-UHFFFAOYSA-N
MW319.03 g/mol
LogP4.82
Rot. Bonds3

About 6-bromo-2-chloro-3-(3-chloropropyl)quinoline

6-bromo-2-chloro-3-(3-chloropropyl)quinoline (PubChem CID 11174594) has the molecular formula C12H10BrCl2N and a molecular weight of 319.03 g/mol. Its IUPAC name is 6-bromo-2-chloro-3-(3-chloropropyl)quinoline.

Molecular Properties

Compound Name6-bromo-2-chloro-3-(3-chloropropyl)quinoline
PubChem CID11174594
Molecular FormulaC12H10BrCl2N
Molecular Weight319.03 g/mol
Exact Mass316.94
IUPAC Name6-bromo-2-chloro-3-(3-chloropropyl)quinoline
SMILESClCCCc1cc2cc(Br)ccc2nc1Cl
InChIInChI=1S/C12H10BrCl2N/c13-10-3-4-11-9(7-10)6-8(2-1-5-14)12(15)16-11/h3-4,6-7H,1-2,5H2
InChIKeyTXFYWKRMBNDVDS-UHFFFAOYSA-N
XLogP4.82
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.03
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-chloro-3-(3-chloropropyl)quinoline?
The IUPAC name of 6-bromo-2-chloro-3-(3-chloropropyl)quinoline (CID 11174594) is 6-bromo-2-chloro-3-(3-chloropropyl)quinoline.
What is the SMILES notation for 6-bromo-2-chloro-3-(3-chloropropyl)quinoline?
The canonical SMILES for 6-bromo-2-chloro-3-(3-chloropropyl)quinoline is ClCCCc1cc2cc(Br)ccc2nc1Cl.
What is the InChIKey of 6-bromo-2-chloro-3-(3-chloropropyl)quinoline?
The InChIKey is TXFYWKRMBNDVDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrCl2N/c13-10-3-4-11-9(7-10)6-8(2-1-5-14)12(15)16-11/h3-4,6-7H,1-2,5H2.
What are the key properties of 6-bromo-2-chloro-3-(3-chloropropyl)quinoline?
6-bromo-2-chloro-3-(3-chloropropyl)quinoline has a molecular weight of 319.03 g/mol, XLogP of 4.82, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-chloro-3-(3-chloropropyl)quinoline is sourced from PubChem (CID 11174594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).