4-propan-2-yl-3-[[6-(trifluoromethyl)quinolin-4-yl]amino]phenol

C19H17F3N2O — CID 44532297

IUPAC4-propan-2-yl-3-[[6-(trifluoromethyl)quinolin-4-yl]amino]phenol
SMILESCC(C)c1ccc(O)cc1Nc1ccnc2ccc(C(F)(F)F)cc12
InChIInChI=1S/C19H17F3N2O/c1-11(2)14-5-4-13(25)10-18(14)24-17-7-8-23-16-6-3-12(9-15(16)17)19(20,21)22/h3-11,25H,1-2H3,(H,23,24)
InChIKeyWNOLIEIORGFJFT-UHFFFAOYSA-N
MW346.35 g/mol
LogP5.83
Rot. Bonds3

About 4-propan-2-yl-3-[[6-(trifluoromethyl)quinolin-4-yl]amino]phenol

4-propan-2-yl-3-[[6-(trifluoromethyl)quinolin-4-yl]amino]phenol (PubChem CID 44532297) has the molecular formula C19H17F3N2O and a molecular weight of 346.35 g/mol. Its IUPAC name is 4-propan-2-yl-3-[[6-(trifluoromethyl)quinolin-4-yl]amino]phenol.

Molecular Properties

Compound Name4-propan-2-yl-3-[[6-(trifluoromethyl)quinolin-4-yl]amino]phenol
PubChem CID44532297
Molecular FormulaC19H17F3N2O
Molecular Weight346.35 g/mol
Exact Mass346.13
IUPAC Name4-propan-2-yl-3-[[6-(trifluoromethyl)quinolin-4-yl]amino]phenol
SMILESCC(C)c1ccc(O)cc1Nc1ccnc2ccc(C(F)(F)F)cc12
InChIInChI=1S/C19H17F3N2O/c1-11(2)14-5-4-13(25)10-18(14)24-17-7-8-23-16-6-3-12(9-15(16)17)19(20,21)22/h3-11,25H,1-2H3,(H,23,24)
InChIKeyWNOLIEIORGFJFT-UHFFFAOYSA-N
XLogP5.83
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.35
LogP ≤ 55.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-3-[[6-(trifluoromethyl)quinolin-4-yl]amino]phenol?
The IUPAC name of 4-propan-2-yl-3-[[6-(trifluoromethyl)quinolin-4-yl]amino]phenol (CID 44532297) is 4-propan-2-yl-3-[[6-(trifluoromethyl)quinolin-4-yl]amino]phenol.
What is the SMILES notation for 4-propan-2-yl-3-[[6-(trifluoromethyl)quinolin-4-yl]amino]phenol?
The canonical SMILES for 4-propan-2-yl-3-[[6-(trifluoromethyl)quinolin-4-yl]amino]phenol is CC(C)c1ccc(O)cc1Nc1ccnc2ccc(C(F)(F)F)cc12.
What is the InChIKey of 4-propan-2-yl-3-[[6-(trifluoromethyl)quinolin-4-yl]amino]phenol?
The InChIKey is WNOLIEIORGFJFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2O/c1-11(2)14-5-4-13(25)10-18(14)24-17-7-8-23-16-6-3-12(9-15(16)17)19(20,21)22/h3-11,25H,1-2H3,(H,23,24).
What are the key properties of 4-propan-2-yl-3-[[6-(trifluoromethyl)quinolin-4-yl]amino]phenol?
4-propan-2-yl-3-[[6-(trifluoromethyl)quinolin-4-yl]amino]phenol has a molecular weight of 346.35 g/mol, XLogP of 5.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-3-[[6-(trifluoromethyl)quinolin-4-yl]amino]phenol is sourced from PubChem (CID 44532297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).