6-bromo-2,4-dichloro-3-(3-chlorophenyl)quinoline

C15H7BrCl3N — CID 90101624

IUPAC6-bromo-2,4-dichloro-3-(3-chlorophenyl)quinoline
SMILESClc1cccc(-c2c(Cl)nc3ccc(Br)cc3c2Cl)c1
InChIInChI=1S/C15H7BrCl3N/c16-9-4-5-12-11(7-9)14(18)13(15(19)20-12)8-2-1-3-10(17)6-8/h1-7H
InChIKeyCGGBUABYQGFDLU-UHFFFAOYSA-N
MW387.49 g/mol
LogP6.62
Rot. Bonds1

About 6-bromo-2,4-dichloro-3-(3-chlorophenyl)quinoline

6-bromo-2,4-dichloro-3-(3-chlorophenyl)quinoline (PubChem CID 90101624) has the molecular formula C15H7BrCl3N and a molecular weight of 387.49 g/mol. Its IUPAC name is 6-bromo-2,4-dichloro-3-(3-chlorophenyl)quinoline.

Molecular Properties

Compound Name6-bromo-2,4-dichloro-3-(3-chlorophenyl)quinoline
PubChem CID90101624
Molecular FormulaC15H7BrCl3N
Molecular Weight387.49 g/mol
Exact Mass384.88
IUPAC Name6-bromo-2,4-dichloro-3-(3-chlorophenyl)quinoline
SMILESClc1cccc(-c2c(Cl)nc3ccc(Br)cc3c2Cl)c1
InChIInChI=1S/C15H7BrCl3N/c16-9-4-5-12-11(7-9)14(18)13(15(19)20-12)8-2-1-3-10(17)6-8/h1-7H
InChIKeyCGGBUABYQGFDLU-UHFFFAOYSA-N
XLogP6.62
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.49
LogP ≤ 56.62
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 6-bromo-2,4-dichloro-3-(3-chlorophenyl)quinoline?
The IUPAC name of 6-bromo-2,4-dichloro-3-(3-chlorophenyl)quinoline (CID 90101624) is 6-bromo-2,4-dichloro-3-(3-chlorophenyl)quinoline.
What is the SMILES notation for 6-bromo-2,4-dichloro-3-(3-chlorophenyl)quinoline?
The canonical SMILES for 6-bromo-2,4-dichloro-3-(3-chlorophenyl)quinoline is Clc1cccc(-c2c(Cl)nc3ccc(Br)cc3c2Cl)c1.
What is the InChIKey of 6-bromo-2,4-dichloro-3-(3-chlorophenyl)quinoline?
The InChIKey is CGGBUABYQGFDLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7BrCl3N/c16-9-4-5-12-11(7-9)14(18)13(15(19)20-12)8-2-1-3-10(17)6-8/h1-7H.
What are the key properties of 6-bromo-2,4-dichloro-3-(3-chlorophenyl)quinoline?
6-bromo-2,4-dichloro-3-(3-chlorophenyl)quinoline has a molecular weight of 387.49 g/mol, XLogP of 6.62, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2,4-dichloro-3-(3-chlorophenyl)quinoline is sourced from PubChem (CID 90101624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).