6-[bis(4-chlorophenyl)methyl]-4-bromo-8-methoxyquinoline

C23H16BrCl2NO — CID 118324072

IUPAC6-[bis(4-chlorophenyl)methyl]-4-bromo-8-methoxyquinoline
SMILESCOc1cc(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc2c(Br)ccnc12
InChIInChI=1S/C23H16BrCl2NO/c1-28-21-13-16(12-19-20(24)10-11-27-23(19)21)22(14-2-6-17(25)7-3-14)15-4-8-18(26)9-5-15/h2-13,22H,1H3
InChIKeyIHJMSRUXZRLPCY-UHFFFAOYSA-N
MW473.20 g/mol
LogP7.49
Rot. Bonds4

About 6-[bis(4-chlorophenyl)methyl]-4-bromo-8-methoxyquinoline

6-[bis(4-chlorophenyl)methyl]-4-bromo-8-methoxyquinoline (PubChem CID 118324072) has the molecular formula C23H16BrCl2NO and a molecular weight of 473.20 g/mol. Its IUPAC name is 6-[bis(4-chlorophenyl)methyl]-4-bromo-8-methoxyquinoline.

Molecular Properties

Compound Name6-[bis(4-chlorophenyl)methyl]-4-bromo-8-methoxyquinoline
PubChem CID118324072
Molecular FormulaC23H16BrCl2NO
Molecular Weight473.20 g/mol
Exact Mass470.98
IUPAC Name6-[bis(4-chlorophenyl)methyl]-4-bromo-8-methoxyquinoline
SMILESCOc1cc(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc2c(Br)ccnc12
InChIInChI=1S/C23H16BrCl2NO/c1-28-21-13-16(12-19-20(24)10-11-27-23(19)21)22(14-2-6-17(25)7-3-14)15-4-8-18(26)9-5-15/h2-13,22H,1H3
InChIKeyIHJMSRUXZRLPCY-UHFFFAOYSA-N
XLogP7.49
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.20
LogP ≤ 57.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[bis(4-chlorophenyl)methyl]-4-bromo-8-methoxyquinoline?
The IUPAC name of 6-[bis(4-chlorophenyl)methyl]-4-bromo-8-methoxyquinoline (CID 118324072) is 6-[bis(4-chlorophenyl)methyl]-4-bromo-8-methoxyquinoline.
What is the SMILES notation for 6-[bis(4-chlorophenyl)methyl]-4-bromo-8-methoxyquinoline?
The canonical SMILES for 6-[bis(4-chlorophenyl)methyl]-4-bromo-8-methoxyquinoline is COc1cc(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc2c(Br)ccnc12.
What is the InChIKey of 6-[bis(4-chlorophenyl)methyl]-4-bromo-8-methoxyquinoline?
The InChIKey is IHJMSRUXZRLPCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16BrCl2NO/c1-28-21-13-16(12-19-20(24)10-11-27-23(19)21)22(14-2-6-17(25)7-3-14)15-4-8-18(26)9-5-15/h2-13,22H,1H3.
What are the key properties of 6-[bis(4-chlorophenyl)methyl]-4-bromo-8-methoxyquinoline?
6-[bis(4-chlorophenyl)methyl]-4-bromo-8-methoxyquinoline has a molecular weight of 473.20 g/mol, XLogP of 7.49, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[bis(4-chlorophenyl)methyl]-4-bromo-8-methoxyquinoline is sourced from PubChem (CID 118324072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).