4-(4-aminoquinolin-6-yl)-2-(trifluoromethoxy)phenol

C16H11F3N2O2 — CID 138384706

IUPAC4-(4-aminoquinolin-6-yl)-2-(trifluoromethoxy)phenol
SMILESNc1ccnc2ccc(-c3ccc(O)c(OC(F)(F)F)c3)cc12
InChIInChI=1S/C16H11F3N2O2/c17-16(18,19)23-15-8-10(2-4-14(15)22)9-1-3-13-11(7-9)12(20)5-6-21-13/h1-8,22H,(H2,20,21)
InChIKeyJOECKMNPSXYYEA-UHFFFAOYSA-N
MW320.27 g/mol
LogP4.09
Rot. Bonds2

About 4-(4-aminoquinolin-6-yl)-2-(trifluoromethoxy)phenol

4-(4-aminoquinolin-6-yl)-2-(trifluoromethoxy)phenol (PubChem CID 138384706) has the molecular formula C16H11F3N2O2 and a molecular weight of 320.27 g/mol. Its IUPAC name is 4-(4-aminoquinolin-6-yl)-2-(trifluoromethoxy)phenol.

Molecular Properties

Compound Name4-(4-aminoquinolin-6-yl)-2-(trifluoromethoxy)phenol
PubChem CID138384706
Molecular FormulaC16H11F3N2O2
Molecular Weight320.27 g/mol
Exact Mass320.08
IUPAC Name4-(4-aminoquinolin-6-yl)-2-(trifluoromethoxy)phenol
SMILESNc1ccnc2ccc(-c3ccc(O)c(OC(F)(F)F)c3)cc12
InChIInChI=1S/C16H11F3N2O2/c17-16(18,19)23-15-8-10(2-4-14(15)22)9-1-3-13-11(7-9)12(20)5-6-21-13/h1-8,22H,(H2,20,21)
InChIKeyJOECKMNPSXYYEA-UHFFFAOYSA-N
XLogP4.09
TPSA68.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.27
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-aminoquinolin-6-yl)-2-(trifluoromethoxy)phenol?
The IUPAC name of 4-(4-aminoquinolin-6-yl)-2-(trifluoromethoxy)phenol (CID 138384706) is 4-(4-aminoquinolin-6-yl)-2-(trifluoromethoxy)phenol.
What is the SMILES notation for 4-(4-aminoquinolin-6-yl)-2-(trifluoromethoxy)phenol?
The canonical SMILES for 4-(4-aminoquinolin-6-yl)-2-(trifluoromethoxy)phenol is Nc1ccnc2ccc(-c3ccc(O)c(OC(F)(F)F)c3)cc12.
What is the InChIKey of 4-(4-aminoquinolin-6-yl)-2-(trifluoromethoxy)phenol?
The InChIKey is JOECKMNPSXYYEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2O2/c17-16(18,19)23-15-8-10(2-4-14(15)22)9-1-3-13-11(7-9)12(20)5-6-21-13/h1-8,22H,(H2,20,21).
What are the key properties of 4-(4-aminoquinolin-6-yl)-2-(trifluoromethoxy)phenol?
4-(4-aminoquinolin-6-yl)-2-(trifluoromethoxy)phenol has a molecular weight of 320.27 g/mol, XLogP of 4.09, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminoquinolin-6-yl)-2-(trifluoromethoxy)phenol is sourced from PubChem (CID 138384706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).