4-[2-fluoro-4-(4-phenoxyphenyl)phenoxy]-6,7-dimethylquinoline

C29H22FNO2 — CID 58170286

IUPAC4-[2-fluoro-4-(4-phenoxyphenyl)phenoxy]-6,7-dimethylquinoline
SMILESCc1cc2nccc(Oc3ccc(-c4ccc(Oc5ccccc5)cc4)cc3F)c2cc1C
InChIInChI=1S/C29H22FNO2/c1-19-16-25-27(17-20(19)2)31-15-14-28(25)33-29-13-10-22(18-26(29)30)21-8-11-24(12-9-21)32-23-6-4-3-5-7-23/h3-18H,1-2H3
InChIKeyILMJHGRJHQZQIO-UHFFFAOYSA-N
MW435.50 g/mol
LogP8.24
Rot. Bonds5

About 4-[2-fluoro-4-(4-phenoxyphenyl)phenoxy]-6,7-dimethylquinoline

4-[2-fluoro-4-(4-phenoxyphenyl)phenoxy]-6,7-dimethylquinoline (PubChem CID 58170286) has the molecular formula C29H22FNO2 and a molecular weight of 435.50 g/mol. Its IUPAC name is 4-[2-fluoro-4-(4-phenoxyphenyl)phenoxy]-6,7-dimethylquinoline.

Molecular Properties

Compound Name4-[2-fluoro-4-(4-phenoxyphenyl)phenoxy]-6,7-dimethylquinoline
PubChem CID58170286
Molecular FormulaC29H22FNO2
Molecular Weight435.50 g/mol
Exact Mass435.16
IUPAC Name4-[2-fluoro-4-(4-phenoxyphenyl)phenoxy]-6,7-dimethylquinoline
SMILESCc1cc2nccc(Oc3ccc(-c4ccc(Oc5ccccc5)cc4)cc3F)c2cc1C
InChIInChI=1S/C29H22FNO2/c1-19-16-25-27(17-20(19)2)31-15-14-28(25)33-29-13-10-22(18-26(29)30)21-8-11-24(12-9-21)32-23-6-4-3-5-7-23/h3-18H,1-2H3
InChIKeyILMJHGRJHQZQIO-UHFFFAOYSA-N
XLogP8.24
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.50
LogP ≤ 58.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-fluoro-4-(4-phenoxyphenyl)phenoxy]-6,7-dimethylquinoline?
The IUPAC name of 4-[2-fluoro-4-(4-phenoxyphenyl)phenoxy]-6,7-dimethylquinoline (CID 58170286) is 4-[2-fluoro-4-(4-phenoxyphenyl)phenoxy]-6,7-dimethylquinoline.
What is the SMILES notation for 4-[2-fluoro-4-(4-phenoxyphenyl)phenoxy]-6,7-dimethylquinoline?
The canonical SMILES for 4-[2-fluoro-4-(4-phenoxyphenyl)phenoxy]-6,7-dimethylquinoline is Cc1cc2nccc(Oc3ccc(-c4ccc(Oc5ccccc5)cc4)cc3F)c2cc1C.
What is the InChIKey of 4-[2-fluoro-4-(4-phenoxyphenyl)phenoxy]-6,7-dimethylquinoline?
The InChIKey is ILMJHGRJHQZQIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22FNO2/c1-19-16-25-27(17-20(19)2)31-15-14-28(25)33-29-13-10-22(18-26(29)30)21-8-11-24(12-9-21)32-23-6-4-3-5-7-23/h3-18H,1-2H3.
What are the key properties of 4-[2-fluoro-4-(4-phenoxyphenyl)phenoxy]-6,7-dimethylquinoline?
4-[2-fluoro-4-(4-phenoxyphenyl)phenoxy]-6,7-dimethylquinoline has a molecular weight of 435.50 g/mol, XLogP of 8.24, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-fluoro-4-(4-phenoxyphenyl)phenoxy]-6,7-dimethylquinoline is sourced from PubChem (CID 58170286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).