1-[2,8-bis(trifluoromethyl)quinolin-4-yl]-2-[di(propan-2-yl)amino]ethanol

C19H22F6N2O — CID 91559335

IUPAC1-[2,8-bis(trifluoromethyl)quinolin-4-yl]-2-[di(propan-2-yl)amino]ethanol
SMILESCC(C)N(CC(O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12)C(C)C
InChIInChI=1S/C19H22F6N2O/c1-10(2)27(11(3)4)9-15(28)13-8-16(19(23,24)25)26-17-12(13)6-5-7-14(17)18(20,21)22/h5-8,10-11,15,28H,9H2,1-4H3
InChIKeySEFZQCNXQNFPKL-UHFFFAOYSA-N
MW408.39 g/mol
LogP5.42
Rot. Bonds5

About 1-[2,8-bis(trifluoromethyl)quinolin-4-yl]-2-[di(propan-2-yl)amino]ethanol

1-[2,8-bis(trifluoromethyl)quinolin-4-yl]-2-[di(propan-2-yl)amino]ethanol (PubChem CID 91559335) has the molecular formula C19H22F6N2O and a molecular weight of 408.39 g/mol. Its IUPAC name is 1-[2,8-bis(trifluoromethyl)quinolin-4-yl]-2-[di(propan-2-yl)amino]ethanol.

Molecular Properties

Compound Name1-[2,8-bis(trifluoromethyl)quinolin-4-yl]-2-[di(propan-2-yl)amino]ethanol
PubChem CID91559335
Molecular FormulaC19H22F6N2O
Molecular Weight408.39 g/mol
Exact Mass408.16
IUPAC Name1-[2,8-bis(trifluoromethyl)quinolin-4-yl]-2-[di(propan-2-yl)amino]ethanol
SMILESCC(C)N(CC(O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12)C(C)C
InChIInChI=1S/C19H22F6N2O/c1-10(2)27(11(3)4)9-15(28)13-8-16(19(23,24)25)26-17-12(13)6-5-7-14(17)18(20,21)22/h5-8,10-11,15,28H,9H2,1-4H3
InChIKeySEFZQCNXQNFPKL-UHFFFAOYSA-N
XLogP5.42
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.39
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Mefloquine
CID 4046
Cinchonidine
CID 101744
Mefloquine Hydrochloride
CID 65329
Cinchonine
CID 90454
(-)-Mefloquine
CID 40692
Hydrocinchonine, (+)-
CID 11630759
Alpha-quinidine
CID 2757
(5-Ethyl-1-azabicyclo[2.2.2]octan-2-yl)-quinolin-4-ylmethanol
CID 101711
Dihydrocinchonidine
CID 6914728
(+)-Mefloquine
CID 456309
(9R)-Cinchonan-9-ol
CID 5702153
1-[2,8-Bis(trifluoromethyl)-4-quinolyl]-2-(propylamino)ethanol
CID 432290

Frequently Asked Questions

What is the IUPAC name of 1-[2,8-bis(trifluoromethyl)quinolin-4-yl]-2-[di(propan-2-yl)amino]ethanol?
The IUPAC name of 1-[2,8-bis(trifluoromethyl)quinolin-4-yl]-2-[di(propan-2-yl)amino]ethanol (CID 91559335) is 1-[2,8-bis(trifluoromethyl)quinolin-4-yl]-2-[di(propan-2-yl)amino]ethanol.
What is the SMILES notation for 1-[2,8-bis(trifluoromethyl)quinolin-4-yl]-2-[di(propan-2-yl)amino]ethanol?
The canonical SMILES for 1-[2,8-bis(trifluoromethyl)quinolin-4-yl]-2-[di(propan-2-yl)amino]ethanol is CC(C)N(CC(O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12)C(C)C.
What is the InChIKey of 1-[2,8-bis(trifluoromethyl)quinolin-4-yl]-2-[di(propan-2-yl)amino]ethanol?
The InChIKey is SEFZQCNXQNFPKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F6N2O/c1-10(2)27(11(3)4)9-15(28)13-8-16(19(23,24)25)26-17-12(13)6-5-7-14(17)18(20,21)22/h5-8,10-11,15,28H,9H2,1-4H3.
What are the key properties of 1-[2,8-bis(trifluoromethyl)quinolin-4-yl]-2-[di(propan-2-yl)amino]ethanol?
1-[2,8-bis(trifluoromethyl)quinolin-4-yl]-2-[di(propan-2-yl)amino]ethanol has a molecular weight of 408.39 g/mol, XLogP of 5.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,8-bis(trifluoromethyl)quinolin-4-yl]-2-[di(propan-2-yl)amino]ethanol is sourced from PubChem (CID 91559335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).