5,7-bis(4-methylphenyl)quinolin-8-ol;5,7-bis[4-(trifluoromethyl)phenyl]quinolin-8-ol;dioxotungsten;7-(4-methylphenyl)-5-[4-(trifluoromethyl)phenyl]quinolin-8-ol

C₆₉H₄₈F₉N₃O₅W — CID 160581931

About 5,7-bis(4-methylphenyl)quinolin-8-ol;5,7-bis[4-(trifluoromethyl)phenyl]quinolin-8-ol;dioxotungsten;7-(4-methylphenyl)-5-[4-(trifluoromethyl)phenyl]quinolin-8-ol

5,7-bis(4-methylphenyl)quinolin-8-ol;5,7-bis[4-(trifluoromethyl)phenyl]quinolin-8-ol;dioxotungsten;7-(4-methylphenyl)-5-[4-(trifluoromethyl)phenyl]quinolin-8-ol (PubChem CID 160581931) has the molecular formula C₆₉H₄₈F₉N₃O₅W and a molecular weight of 1353.98 g/mol. Its IUPAC name is 5,7-bis(4-methylphenyl)quinolin-8-ol;5,7-bis[4-(trifluoromethyl)phenyl]quinolin-8-ol;dioxotungsten;7-(4-methylphenyl)-5-[4-(trifluoromethyl)phenyl]quinolin-8-ol.

Molecular Properties

• Compound Name: 5,7-bis(4-methylphenyl)quinolin-8-ol;5,7-bis[4-(trifluoromethyl)phenyl]quinolin-8-ol;dioxotungsten;7-(4-methylphenyl)-5-[4-(trifluoromethyl)phenyl]quinolin-8-ol
• PubChem CID: 160581931
• Molecular Formula: C₆₉H₄₈F₉N₃O₅W
• Molecular Weight: 1353.98 g/mol
• Exact Mass: 1353.30
• IUPAC Name: 5,7-bis(4-methylphenyl)quinolin-8-ol;5,7-bis[4-(trifluoromethyl)phenyl]quinolin-8-ol;dioxotungsten;7-(4-methylphenyl)-5-[4-(trifluoromethyl)phenyl]quinolin-8-ol
• SMILES: Cc1ccc(-c2cc(-c3ccc(C(F)(F)F)cc3)c3cccnc3c2O)cc1.Cc1ccc(-c2cc(-c3ccc(C)cc3)c3cccnc3c2O)cc1.O=[W]=O.Oc1c(-c2ccc(C(F)(F)F)cc2)cc(-c2ccc(C(F)(F)F)cc2)c2cccnc12
• InChI: InChI=1S/C23H13F6NO.C23H16F3NO.C23H19NO.2O.W/c24-22(25,26)15-7-3-13(4-8-15)18-12-19(21(31)20-17(18)2-1-11-30-20)14-5-9-16(10-6-14)23(27,28)29;1-14-4-6-16(7-5-14)20-13-19(18-3-2-12-27-21(18)22(20)28)15-8-10-17(11-9-15)23(24,25)26;1-15-5-9-17(10-6-15)20-14-21(18-11-7-16(2)8-12-18)23(25)22-19(20)4-3-13-24-22;;;/h1-12,31H;2-13,28H,1H3;3-14,25H,1-2H3
• InChIKey: OONUSMVOORGYMG-UHFFFAOYSA-N
• XLogP: 19.56
• TPSA: 133.50 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 87
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1353.98
LogP ≤ 5	19.56
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5,7-bis(4-methylphenyl)quinolin-8-ol;5,7-bis[4-(trifluoromethyl)phenyl]quinolin-8-ol;dioxotungsten;7-(4-methylphenyl)-5-[4-(trifluoromethyl)phenyl]quinolin-8-ol?

The IUPAC name of 5,7-bis(4-methylphenyl)quinolin-8-ol;5,7-bis[4-(trifluoromethyl)phenyl]quinolin-8-ol;dioxotungsten;7-(4-methylphenyl)-5-[4-(trifluoromethyl)phenyl]quinolin-8-ol (CID 160581931) is 5,7-bis(4-methylphenyl)quinolin-8-ol;5,7-bis[4-(trifluoromethyl)phenyl]quinolin-8-ol;dioxotungsten;7-(4-methylphenyl)-5-[4-(trifluoromethyl)phenyl]quinolin-8-ol.

What is the SMILES notation for 5,7-bis(4-methylphenyl)quinolin-8-ol;5,7-bis[4-(trifluoromethyl)phenyl]quinolin-8-ol;dioxotungsten;7-(4-methylphenyl)-5-[4-(trifluoromethyl)phenyl]quinolin-8-ol?

The canonical SMILES for 5,7-bis(4-methylphenyl)quinolin-8-ol;5,7-bis[4-(trifluoromethyl)phenyl]quinolin-8-ol;dioxotungsten;7-(4-methylphenyl)-5-[4-(trifluoromethyl)phenyl]quinolin-8-ol is Cc1ccc(-c2cc(-c3ccc(C(F)(F)F)cc3)c3cccnc3c2O)cc1.Cc1ccc(-c2cc(-c3ccc(C)cc3)c3cccnc3c2O)cc1.O=[W]=O.Oc1c(-c2ccc(C(F)(F)F)cc2)cc(-c2ccc(C(F)(F)F)cc2)c2cccnc12.

What is the InChIKey of 5,7-bis(4-methylphenyl)quinolin-8-ol;5,7-bis[4-(trifluoromethyl)phenyl]quinolin-8-ol;dioxotungsten;7-(4-methylphenyl)-5-[4-(trifluoromethyl)phenyl]quinolin-8-ol?

The InChIKey is OONUSMVOORGYMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H13F6NO.C23H16F3NO.C23H19NO.2O.W/c24-22(25,26)15-7-3-13(4-8-15)18-12-19(21(31)20-17(18)2-1-11-30-20)14-5-9-16(10-6-14)23(27,28)29;1-14-4-6-16(7-5-14)20-13-19(18-3-2-12-27-21(18)22(20)28)15-8-10-17(11-9-15)23(24,25)26;1-15-5-9-17(10-6-15)20-14-21(18-11-7-16(2)8-12-18)23(25)22-19(20)4-3-13-24-22;;;/h1-12,31H;2-13,28H,1H3;3-14,25H,1-2H3;;;.

What are the key properties of 5,7-bis(4-methylphenyl)quinolin-8-ol;5,7-bis[4-(trifluoromethyl)phenyl]quinolin-8-ol;dioxotungsten;7-(4-methylphenyl)-5-[4-(trifluoromethyl)phenyl]quinolin-8-ol?

5,7-bis(4-methylphenyl)quinolin-8-ol;5,7-bis[4-(trifluoromethyl)phenyl]quinolin-8-ol;dioxotungsten;7-(4-methylphenyl)-5-[4-(trifluoromethyl)phenyl]quinolin-8-ol has a molecular weight of 1353.98 g/mol, XLogP of 19.56, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5,7-bis(4-methylphenyl)quinolin-8-ol;5,7-bis[4-(trifluoromethyl)phenyl]quinolin-8-ol;dioxotungsten;7-(4-methylphenyl)-5-[4-(trifluoromethyl)phenyl]quinolin-8-ol is sourced from PubChem (CID 160581931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 160581931 — identifiers, structure, computed properties (public domain)

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