4,6-bis(4-chlorophenyl)quinoline

C21H13Cl2N — CID 11187194

IUPAC4,6-bis(4-chlorophenyl)quinoline
SMILESClc1ccc(-c2ccc3nccc(-c4ccc(Cl)cc4)c3c2)cc1
InChIInChI=1S/C21H13Cl2N/c22-17-6-1-14(2-7-17)16-5-10-21-20(13-16)19(11-12-24-21)15-3-8-18(23)9-4-15/h1-13H
InChIKeyRWCVGJZITSULRQ-UHFFFAOYSA-N
MW350.25 g/mol
LogP6.88
Rot. Bonds2

About 4,6-bis(4-chlorophenyl)quinoline

4,6-bis(4-chlorophenyl)quinoline (PubChem CID 11187194) has the molecular formula C21H13Cl2N and a molecular weight of 350.25 g/mol. Its IUPAC name is 4,6-bis(4-chlorophenyl)quinoline.

Molecular Properties

Compound Name4,6-bis(4-chlorophenyl)quinoline
PubChem CID11187194
Molecular FormulaC21H13Cl2N
Molecular Weight350.25 g/mol
Exact Mass349.04
IUPAC Name4,6-bis(4-chlorophenyl)quinoline
SMILESClc1ccc(-c2ccc3nccc(-c4ccc(Cl)cc4)c3c2)cc1
InChIInChI=1S/C21H13Cl2N/c22-17-6-1-14(2-7-17)16-5-10-21-20(13-16)19(11-12-24-21)15-3-8-18(23)9-4-15/h1-13H
InChIKeyRWCVGJZITSULRQ-UHFFFAOYSA-N
XLogP6.88
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.25
LogP ≤ 56.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,6-bis(4-chlorophenyl)quinoline?
The IUPAC name of 4,6-bis(4-chlorophenyl)quinoline (CID 11187194) is 4,6-bis(4-chlorophenyl)quinoline.
What is the SMILES notation for 4,6-bis(4-chlorophenyl)quinoline?
The canonical SMILES for 4,6-bis(4-chlorophenyl)quinoline is Clc1ccc(-c2ccc3nccc(-c4ccc(Cl)cc4)c3c2)cc1.
What is the InChIKey of 4,6-bis(4-chlorophenyl)quinoline?
The InChIKey is RWCVGJZITSULRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13Cl2N/c22-17-6-1-14(2-7-17)16-5-10-21-20(13-16)19(11-12-24-21)15-3-8-18(23)9-4-15/h1-13H.
What are the key properties of 4,6-bis(4-chlorophenyl)quinoline?
4,6-bis(4-chlorophenyl)quinoline has a molecular weight of 350.25 g/mol, XLogP of 6.88, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis(4-chlorophenyl)quinoline is sourced from PubChem (CID 11187194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).