2-(4-aminoquinolin-8-yl)-4-(trifluoromethoxy)phenol

C16H11F3N2O2 — CID 137334476

IUPAC2-(4-aminoquinolin-8-yl)-4-(trifluoromethoxy)phenol
SMILESNc1ccnc2c(-c3cc(OC(F)(F)F)ccc3O)cccc12
InChIInChI=1S/C16H11F3N2O2/c17-16(18,19)23-9-4-5-14(22)12(8-9)10-2-1-3-11-13(20)6-7-21-15(10)11/h1-8,22H,(H2,20,21)
InChIKeyXCKGNLJCUXTLNL-UHFFFAOYSA-N
MW320.27 g/mol
LogP4.09
Rot. Bonds2

About 2-(4-aminoquinolin-8-yl)-4-(trifluoromethoxy)phenol

2-(4-aminoquinolin-8-yl)-4-(trifluoromethoxy)phenol (PubChem CID 137334476) has the molecular formula C16H11F3N2O2 and a molecular weight of 320.27 g/mol. Its IUPAC name is 2-(4-aminoquinolin-8-yl)-4-(trifluoromethoxy)phenol.

Molecular Properties

Compound Name2-(4-aminoquinolin-8-yl)-4-(trifluoromethoxy)phenol
PubChem CID137334476
Molecular FormulaC16H11F3N2O2
Molecular Weight320.27 g/mol
Exact Mass320.08
IUPAC Name2-(4-aminoquinolin-8-yl)-4-(trifluoromethoxy)phenol
SMILESNc1ccnc2c(-c3cc(OC(F)(F)F)ccc3O)cccc12
InChIInChI=1S/C16H11F3N2O2/c17-16(18,19)23-9-4-5-14(22)12(8-9)10-2-1-3-11-13(20)6-7-21-15(10)11/h1-8,22H,(H2,20,21)
InChIKeyXCKGNLJCUXTLNL-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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Related Compounds

2-(hydroxymethyl)-4-(trifluoromethoxy)phenol
CID 11694149
[5-[2-hydroxy-5-(trifluoromethoxy)phenyl]naphthalen-1-yl]-morpholin-4-ylmethanone
CID 175643336
5-(trifluoromethoxy)-2-[2-(trifluoromethoxy)phenyl]phenol
CID 171115606
4-(4-aminoquinolin-6-yl)-2-(trifluoromethoxy)phenol
CID 138384706
8-(1-methylpyrrolo[2,3-b]pyridin-4-yl)quinolin-4-amine
CID 70739111
2-[4-(trifluoromethoxy)phenyl]phenol
CID 23225048
2-(tetrazolo[1,5-a]pyridin-5-yl)-4-(trifluoromethoxy)phenol
CID 138379283
2-amino-4-[4-(trifluoromethoxy)phenyl]phenol
CID 162558400
2-[4-[[(2R)-2-amino-3-methylbutyl]amino]quinazolin-2-yl]-4-(trifluoromethoxy)phenol
CID 135898934
2-[(1R,2S)-1-amino-2-cyclopropyl-2-hydroxyethyl]-4-(trifluoromethoxy)phenol
CID 171264157
3-[3-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)aniline
CID 134624116
ethane;3-(trifluoromethoxy)phenol
CID 143201974

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminoquinolin-8-yl)-4-(trifluoromethoxy)phenol?
The IUPAC name of 2-(4-aminoquinolin-8-yl)-4-(trifluoromethoxy)phenol (CID 137334476) is 2-(4-aminoquinolin-8-yl)-4-(trifluoromethoxy)phenol.
What is the SMILES notation for 2-(4-aminoquinolin-8-yl)-4-(trifluoromethoxy)phenol?
The canonical SMILES for 2-(4-aminoquinolin-8-yl)-4-(trifluoromethoxy)phenol is Nc1ccnc2c(-c3cc(OC(F)(F)F)ccc3O)cccc12.
What is the InChIKey of 2-(4-aminoquinolin-8-yl)-4-(trifluoromethoxy)phenol?
The InChIKey is XCKGNLJCUXTLNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2O2/c17-16(18,19)23-9-4-5-14(22)12(8-9)10-2-1-3-11-13(20)6-7-21-15(10)11/h1-8,22H,(H2,20,21).
What are the key properties of 2-(4-aminoquinolin-8-yl)-4-(trifluoromethoxy)phenol?
2-(4-aminoquinolin-8-yl)-4-(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 2-(4-aminoquinolin-8-yl)-4-(trifluoromethoxy)phenol is sourced from PubChem (CID 137334476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).