6-chloro-2-(3-phenoxyphenyl)-4-phenylquinoline

C27H18ClNO — CID 134130806

IUPAC6-chloro-2-(3-phenoxyphenyl)-4-phenylquinoline
SMILESClc1ccc2nc(-c3cccc(Oc4ccccc4)c3)cc(-c3ccccc3)c2c1
InChIInChI=1S/C27H18ClNO/c28-21-14-15-26-25(17-21)24(19-8-3-1-4-9-19)18-27(29-26)20-10-7-13-23(16-20)30-22-11-5-2-6-12-22/h1-18H
InChIKeyJQYSKNJOQWRPKX-UHFFFAOYSA-N
MW407.90 g/mol
LogP8.01
Rot. Bonds4

About 6-chloro-2-(3-phenoxyphenyl)-4-phenylquinoline

6-chloro-2-(3-phenoxyphenyl)-4-phenylquinoline (PubChem CID 134130806) has the molecular formula C27H18ClNO and a molecular weight of 407.90 g/mol. Its IUPAC name is 6-chloro-2-(3-phenoxyphenyl)-4-phenylquinoline.

Molecular Properties

Compound Name6-chloro-2-(3-phenoxyphenyl)-4-phenylquinoline
PubChem CID134130806
Molecular FormulaC27H18ClNO
Molecular Weight407.90 g/mol
Exact Mass407.11
IUPAC Name6-chloro-2-(3-phenoxyphenyl)-4-phenylquinoline
SMILESClc1ccc2nc(-c3cccc(Oc4ccccc4)c3)cc(-c3ccccc3)c2c1
InChIInChI=1S/C27H18ClNO/c28-21-14-15-26-25(17-21)24(19-8-3-1-4-9-19)18-27(29-26)20-10-7-13-23(16-20)30-22-11-5-2-6-12-22/h1-18H
InChIKeyJQYSKNJOQWRPKX-UHFFFAOYSA-N
XLogP8.01
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.90
LogP ≤ 58.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(3-phenoxyphenyl)-4-phenylquinoline?
The IUPAC name of 6-chloro-2-(3-phenoxyphenyl)-4-phenylquinoline (CID 134130806) is 6-chloro-2-(3-phenoxyphenyl)-4-phenylquinoline.
What is the SMILES notation for 6-chloro-2-(3-phenoxyphenyl)-4-phenylquinoline?
The canonical SMILES for 6-chloro-2-(3-phenoxyphenyl)-4-phenylquinoline is Clc1ccc2nc(-c3cccc(Oc4ccccc4)c3)cc(-c3ccccc3)c2c1.
What is the InChIKey of 6-chloro-2-(3-phenoxyphenyl)-4-phenylquinoline?
The InChIKey is JQYSKNJOQWRPKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18ClNO/c28-21-14-15-26-25(17-21)24(19-8-3-1-4-9-19)18-27(29-26)20-10-7-13-23(16-20)30-22-11-5-2-6-12-22/h1-18H.
What are the key properties of 6-chloro-2-(3-phenoxyphenyl)-4-phenylquinoline?
6-chloro-2-(3-phenoxyphenyl)-4-phenylquinoline has a molecular weight of 407.90 g/mol, XLogP of 8.01, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(3-phenoxyphenyl)-4-phenylquinoline is sourced from PubChem (CID 134130806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).