6-bromo-4-(2-chlorophenyl)-2-phenoxyquinoline

C21H13BrClNO — CID 6426544

IUPAC6-bromo-4-(2-chlorophenyl)-2-phenoxyquinoline
SMILESClc1ccccc1-c1cc(Oc2ccccc2)nc2ccc(Br)cc12
InChIInChI=1S/C21H13BrClNO/c22-14-10-11-20-18(12-14)17(16-8-4-5-9-19(16)23)13-21(24-20)25-15-6-2-1-3-7-15/h1-13H
InChIKeyUQZPVPOSVVXJLH-UHFFFAOYSA-N
MW410.70 g/mol
LogP7.11
Rot. Bonds3

About 6-bromo-4-(2-chlorophenyl)-2-phenoxyquinoline

6-bromo-4-(2-chlorophenyl)-2-phenoxyquinoline (PubChem CID 6426544) has the molecular formula C21H13BrClNO and a molecular weight of 410.70 g/mol. Its IUPAC name is 6-bromo-4-(2-chlorophenyl)-2-phenoxyquinoline.

Molecular Properties

Compound Name6-bromo-4-(2-chlorophenyl)-2-phenoxyquinoline
PubChem CID6426544
Molecular FormulaC21H13BrClNO
Molecular Weight410.70 g/mol
Exact Mass408.99
IUPAC Name6-bromo-4-(2-chlorophenyl)-2-phenoxyquinoline
SMILESClc1ccccc1-c1cc(Oc2ccccc2)nc2ccc(Br)cc12
InChIInChI=1S/C21H13BrClNO/c22-14-10-11-20-18(12-14)17(16-8-4-5-9-19(16)23)13-21(24-20)25-15-6-2-1-3-7-15/h1-13H
InChIKeyUQZPVPOSVVXJLH-UHFFFAOYSA-N
XLogP7.11
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.70
LogP ≤ 57.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-(2-chlorophenyl)-2-phenoxyquinoline?
The IUPAC name of 6-bromo-4-(2-chlorophenyl)-2-phenoxyquinoline (CID 6426544) is 6-bromo-4-(2-chlorophenyl)-2-phenoxyquinoline.
What is the SMILES notation for 6-bromo-4-(2-chlorophenyl)-2-phenoxyquinoline?
The canonical SMILES for 6-bromo-4-(2-chlorophenyl)-2-phenoxyquinoline is Clc1ccccc1-c1cc(Oc2ccccc2)nc2ccc(Br)cc12.
What is the InChIKey of 6-bromo-4-(2-chlorophenyl)-2-phenoxyquinoline?
The InChIKey is UQZPVPOSVVXJLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13BrClNO/c22-14-10-11-20-18(12-14)17(16-8-4-5-9-19(16)23)13-21(24-20)25-15-6-2-1-3-7-15/h1-13H.
What are the key properties of 6-bromo-4-(2-chlorophenyl)-2-phenoxyquinoline?
6-bromo-4-(2-chlorophenyl)-2-phenoxyquinoline has a molecular weight of 410.70 g/mol, XLogP of 7.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-(2-chlorophenyl)-2-phenoxyquinoline is sourced from PubChem (CID 6426544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).