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

C27H18FNO — CID 132961615

IUPAC6-fluoro-2-(3-phenoxyphenyl)-4-phenylquinoline
SMILESFc1ccc2nc(-c3cccc(Oc4ccccc4)c3)cc(-c3ccccc3)c2c1
InChIInChI=1S/C27H18FNO/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
InChIKeyIQOLKQQNEGEPFP-UHFFFAOYSA-N
MW391.45 g/mol
LogP7.50
Rot. Bonds4

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

6-fluoro-2-(3-phenoxyphenyl)-4-phenylquinoline (PubChem CID 132961615) has the molecular formula C27H18FNO and a molecular weight of 391.45 g/mol. Its IUPAC name is 6-fluoro-2-(3-phenoxyphenyl)-4-phenylquinoline.

Molecular Properties

Compound Name6-fluoro-2-(3-phenoxyphenyl)-4-phenylquinoline
PubChem CID132961615
Molecular FormulaC27H18FNO
Molecular Weight391.45 g/mol
Exact Mass391.14
IUPAC Name6-fluoro-2-(3-phenoxyphenyl)-4-phenylquinoline
SMILESFc1ccc2nc(-c3cccc(Oc4ccccc4)c3)cc(-c3ccccc3)c2c1
InChIInChI=1S/C27H18FNO/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
InChIKeyIQOLKQQNEGEPFP-UHFFFAOYSA-N
XLogP7.50
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.45
LogP ≤ 57.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-(3-phenoxyphenyl)-4-phenylquinoline?
The IUPAC name of 6-fluoro-2-(3-phenoxyphenyl)-4-phenylquinoline (CID 132961615) is 6-fluoro-2-(3-phenoxyphenyl)-4-phenylquinoline.
What is the SMILES notation for 6-fluoro-2-(3-phenoxyphenyl)-4-phenylquinoline?
The canonical SMILES for 6-fluoro-2-(3-phenoxyphenyl)-4-phenylquinoline is Fc1ccc2nc(-c3cccc(Oc4ccccc4)c3)cc(-c3ccccc3)c2c1.
What is the InChIKey of 6-fluoro-2-(3-phenoxyphenyl)-4-phenylquinoline?
The InChIKey is IQOLKQQNEGEPFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18FNO/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-fluoro-2-(3-phenoxyphenyl)-4-phenylquinoline?
6-fluoro-2-(3-phenoxyphenyl)-4-phenylquinoline has a molecular weight of 391.45 g/mol, XLogP of 7.50, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-(3-phenoxyphenyl)-4-phenylquinoline is sourced from PubChem (CID 132961615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).