2-(4-bromophenyl)-6-chloro-4-(2-chlorophenyl)quinoline

C21H12BrCl2N — CID 12736047

IUPAC2-(4-bromophenyl)-6-chloro-4-(2-chlorophenyl)quinoline
SMILESClc1ccc2nc(-c3ccc(Br)cc3)cc(-c3ccccc3Cl)c2c1
InChIInChI=1S/C21H12BrCl2N/c22-14-7-5-13(6-8-14)21-12-17(16-3-1-2-4-19(16)24)18-11-15(23)9-10-20(18)25-21/h1-12H
InChIKeyDVTAQXSTMOSFNQ-UHFFFAOYSA-N
MW429.14 g/mol
LogP7.64
Rot. Bonds2

About 2-(4-bromophenyl)-6-chloro-4-(2-chlorophenyl)quinoline

2-(4-bromophenyl)-6-chloro-4-(2-chlorophenyl)quinoline (PubChem CID 12736047) has the molecular formula C21H12BrCl2N and a molecular weight of 429.14 g/mol. Its IUPAC name is 2-(4-bromophenyl)-6-chloro-4-(2-chlorophenyl)quinoline.

Molecular Properties

Compound Name2-(4-bromophenyl)-6-chloro-4-(2-chlorophenyl)quinoline
PubChem CID12736047
Molecular FormulaC21H12BrCl2N
Molecular Weight429.14 g/mol
Exact Mass426.95
IUPAC Name2-(4-bromophenyl)-6-chloro-4-(2-chlorophenyl)quinoline
SMILESClc1ccc2nc(-c3ccc(Br)cc3)cc(-c3ccccc3Cl)c2c1
InChIInChI=1S/C21H12BrCl2N/c22-14-7-5-13(6-8-14)21-12-17(16-3-1-2-4-19(16)24)18-11-15(23)9-10-20(18)25-21/h1-12H
InChIKeyDVTAQXSTMOSFNQ-UHFFFAOYSA-N
XLogP7.64
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.14
LogP ≤ 57.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-6-chloro-4-(2-chlorophenyl)quinoline?
The IUPAC name of 2-(4-bromophenyl)-6-chloro-4-(2-chlorophenyl)quinoline (CID 12736047) is 2-(4-bromophenyl)-6-chloro-4-(2-chlorophenyl)quinoline.
What is the SMILES notation for 2-(4-bromophenyl)-6-chloro-4-(2-chlorophenyl)quinoline?
The canonical SMILES for 2-(4-bromophenyl)-6-chloro-4-(2-chlorophenyl)quinoline is Clc1ccc2nc(-c3ccc(Br)cc3)cc(-c3ccccc3Cl)c2c1.
What is the InChIKey of 2-(4-bromophenyl)-6-chloro-4-(2-chlorophenyl)quinoline?
The InChIKey is DVTAQXSTMOSFNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12BrCl2N/c22-14-7-5-13(6-8-14)21-12-17(16-3-1-2-4-19(16)24)18-11-15(23)9-10-20(18)25-21/h1-12H.
What are the key properties of 2-(4-bromophenyl)-6-chloro-4-(2-chlorophenyl)quinoline?
2-(4-bromophenyl)-6-chloro-4-(2-chlorophenyl)quinoline has a molecular weight of 429.14 g/mol, XLogP of 7.64, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-6-chloro-4-(2-chlorophenyl)quinoline is sourced from PubChem (CID 12736047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).