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

IUPAC5,7-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
SMILESCc1ccc(-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
InChIInChI=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;;;
InChIKeyOONUSMVOORGYMG-UHFFFAOYSA-N
MW1353.98 g/mol
LogP19.56
Rot. Bonds6

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 Name5,7-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 CID160581931
Molecular FormulaC69H48F9N3O5W
Molecular Weight1353.98 g/mol
Exact Mass1353.30
IUPAC Name5,7-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
SMILESCc1ccc(-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
InChIInChI=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;;;
InChIKeyOONUSMVOORGYMG-UHFFFAOYSA-N
XLogP19.56
TPSA133.50 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms87
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001353.98
LogP ≤ 519.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Related Compounds

Unii-8KG95Q2dqh
CID 25268906
5-[[(8-Hydroxyquinolin-5-yl)methyl-[(4-methylphenyl)methyl]amino]methyl]quinolin-8-ol
CID 25268549
5-[[(8-Hydroxyquinolin-5-yl)methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]methyl]quinolin-8-ol
CID 25268907
5-[[(8-Hydroxyquinolin-5-yl)methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]quinolin-8-ol
CID 45112556
5,5'-[[[3,5-Bis(trifluoromethyl)benzyl]imino]bismethylene]bis(quinoline-8-ol)
CID 45112557
5-(8-Hydroxy-7-piperidin-1-ylmethyl-isoquinolin-5-ylmethyl)-7-piperidin-1-ylmethyl-quinolin-8-ol
CID 136180343
5-[[(8-Hydroxyquinolin-5-yl)methyl-(naphthalen-1-ylmethyl)amino]methyl]quinolin-8-ol
CID 25268547
5-[[(8-hydroxyquinolin-5-yl)methyl-[(1S)-1-(4-methylphenyl)ethyl]amino]methyl]quinolin-8-ol
CID 25268908
1-[[8-Hydroxy-7-(pyrrolidin-1-ylmethyl)quinolin-5-yl]methyl]indole-5-carbonitrile
CID 145964758
5-(Indol-1-ylmethyl)-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol
CID 145965949
5-[(7-Methylindol-1-yl)methyl]-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol
CID 145967324
5-[(6-Fluoroindol-1-yl)methyl]-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol
CID 145972499

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).