8-[(4-hydroxyphenyl)methylamino]-4-methyl-5-[3-(trifluoromethyl)phenoxy]quinolin-6-ol

C24H19F3N2O3 — CID 118707118

IUPAC8-[(4-hydroxyphenyl)methylamino]-4-methyl-5-[3-(trifluoromethyl)phenoxy]quinolin-6-ol
SMILESCc1ccnc2c(NCc3ccc(O)cc3)cc(O)c(Oc3cccc(C(F)(F)F)c3)c12
InChIInChI=1S/C24H19F3N2O3/c1-14-9-10-28-22-19(29-13-15-5-7-17(30)8-6-15)12-20(31)23(21(14)22)32-18-4-2-3-16(11-18)24(25,26)27/h2-12,29-31H,13H2,1H3
InChIKeyOOPMDKIRVTXOPT-UHFFFAOYSA-N
MW440.42 g/mol
LogP6.38
Rot. Bonds5

About 8-[(4-hydroxyphenyl)methylamino]-4-methyl-5-[3-(trifluoromethyl)phenoxy]quinolin-6-ol

8-[(4-hydroxyphenyl)methylamino]-4-methyl-5-[3-(trifluoromethyl)phenoxy]quinolin-6-ol (PubChem CID 118707118) has the molecular formula C24H19F3N2O3 and a molecular weight of 440.42 g/mol. Its IUPAC name is 8-[(4-hydroxyphenyl)methylamino]-4-methyl-5-[3-(trifluoromethyl)phenoxy]quinolin-6-ol.

Molecular Properties

Compound Name8-[(4-hydroxyphenyl)methylamino]-4-methyl-5-[3-(trifluoromethyl)phenoxy]quinolin-6-ol
PubChem CID118707118
Molecular FormulaC24H19F3N2O3
Molecular Weight440.42 g/mol
Exact Mass440.13
IUPAC Name8-[(4-hydroxyphenyl)methylamino]-4-methyl-5-[3-(trifluoromethyl)phenoxy]quinolin-6-ol
SMILESCc1ccnc2c(NCc3ccc(O)cc3)cc(O)c(Oc3cccc(C(F)(F)F)c3)c12
InChIInChI=1S/C24H19F3N2O3/c1-14-9-10-28-22-19(29-13-15-5-7-17(30)8-6-15)12-20(31)23(21(14)22)32-18-4-2-3-16(11-18)24(25,26)27/h2-12,29-31H,13H2,1H3
InChIKeyOOPMDKIRVTXOPT-UHFFFAOYSA-N
XLogP6.38
TPSA74.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.42
LogP ≤ 56.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-[(4-hydroxyphenyl)methylamino]-4-methyl-5-[3-(trifluoromethyl)phenoxy]quinolin-6-ol?
The IUPAC name of 8-[(4-hydroxyphenyl)methylamino]-4-methyl-5-[3-(trifluoromethyl)phenoxy]quinolin-6-ol (CID 118707118) is 8-[(4-hydroxyphenyl)methylamino]-4-methyl-5-[3-(trifluoromethyl)phenoxy]quinolin-6-ol.
What is the SMILES notation for 8-[(4-hydroxyphenyl)methylamino]-4-methyl-5-[3-(trifluoromethyl)phenoxy]quinolin-6-ol?
The canonical SMILES for 8-[(4-hydroxyphenyl)methylamino]-4-methyl-5-[3-(trifluoromethyl)phenoxy]quinolin-6-ol is Cc1ccnc2c(NCc3ccc(O)cc3)cc(O)c(Oc3cccc(C(F)(F)F)c3)c12.
What is the InChIKey of 8-[(4-hydroxyphenyl)methylamino]-4-methyl-5-[3-(trifluoromethyl)phenoxy]quinolin-6-ol?
The InChIKey is OOPMDKIRVTXOPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N2O3/c1-14-9-10-28-22-19(29-13-15-5-7-17(30)8-6-15)12-20(31)23(21(14)22)32-18-4-2-3-16(11-18)24(25,26)27/h2-12,29-31H,13H2,1H3.
What are the key properties of 8-[(4-hydroxyphenyl)methylamino]-4-methyl-5-[3-(trifluoromethyl)phenoxy]quinolin-6-ol?
8-[(4-hydroxyphenyl)methylamino]-4-methyl-5-[3-(trifluoromethyl)phenoxy]quinolin-6-ol has a molecular weight of 440.42 g/mol, XLogP of 6.38, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(4-hydroxyphenyl)methylamino]-4-methyl-5-[3-(trifluoromethyl)phenoxy]quinolin-6-ol is sourced from PubChem (CID 118707118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).