5-[[4-(trifluoromethyl)anilino]methyl]quinolin-8-ol

C17H13F3N2O — CID 1090310

IUPAC5-[[4-(trifluoromethyl)anilino]methyl]quinolin-8-ol
SMILESOc1ccc(CNc2ccc(C(F)(F)F)cc2)c2cccnc12
InChIInChI=1S/C17H13F3N2O/c18-17(19,20)12-4-6-13(7-5-12)22-10-11-3-8-15(23)16-14(11)2-1-9-21-16/h1-9,22-23H,10H2
InChIKeyUTAYSFPJDNOGFX-UHFFFAOYSA-N
MW318.30 g/mol
LogP4.57
Rot. Bonds3

About 5-[[4-(trifluoromethyl)anilino]methyl]quinolin-8-ol

5-[[4-(trifluoromethyl)anilino]methyl]quinolin-8-ol (PubChem CID 1090310) has the molecular formula C17H13F3N2O and a molecular weight of 318.30 g/mol. Its IUPAC name is 5-[[4-(trifluoromethyl)anilino]methyl]quinolin-8-ol.

Molecular Properties

Compound Name5-[[4-(trifluoromethyl)anilino]methyl]quinolin-8-ol
PubChem CID1090310
Molecular FormulaC17H13F3N2O
Molecular Weight318.30 g/mol
Exact Mass318.10
IUPAC Name5-[[4-(trifluoromethyl)anilino]methyl]quinolin-8-ol
SMILESOc1ccc(CNc2ccc(C(F)(F)F)cc2)c2cccnc12
InChIInChI=1S/C17H13F3N2O/c18-17(19,20)12-4-6-13(7-5-12)22-10-11-3-8-15(23)16-14(11)2-1-9-21-16/h1-9,22-23H,10H2
InChIKeyUTAYSFPJDNOGFX-UHFFFAOYSA-N
XLogP4.57
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.30
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-(trifluoromethyl)anilino]methyl]quinolin-8-ol?
The IUPAC name of 5-[[4-(trifluoromethyl)anilino]methyl]quinolin-8-ol (CID 1090310) is 5-[[4-(trifluoromethyl)anilino]methyl]quinolin-8-ol.
What is the SMILES notation for 5-[[4-(trifluoromethyl)anilino]methyl]quinolin-8-ol?
The canonical SMILES for 5-[[4-(trifluoromethyl)anilino]methyl]quinolin-8-ol is Oc1ccc(CNc2ccc(C(F)(F)F)cc2)c2cccnc12.
What is the InChIKey of 5-[[4-(trifluoromethyl)anilino]methyl]quinolin-8-ol?
The InChIKey is UTAYSFPJDNOGFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2O/c18-17(19,20)12-4-6-13(7-5-12)22-10-11-3-8-15(23)16-14(11)2-1-9-21-16/h1-9,22-23H,10H2.
What are the key properties of 5-[[4-(trifluoromethyl)anilino]methyl]quinolin-8-ol?
5-[[4-(trifluoromethyl)anilino]methyl]quinolin-8-ol has a molecular weight of 318.30 g/mol, XLogP of 4.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(trifluoromethyl)anilino]methyl]quinolin-8-ol is sourced from PubChem (CID 1090310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).