1-[2,8-bis(trifluoromethyl)quinolin-4-yl]-2-[2-(dimethylamino)ethylamino]ethanol

C17H19F6N3O — CID 54578090

IUPAC1-[2,8-bis(trifluoromethyl)quinolin-4-yl]-2-[2-(dimethylamino)ethylamino]ethanol
SMILESCN(C)CCNCC(O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12
InChIInChI=1S/C17H19F6N3O/c1-26(2)7-6-24-9-13(27)11-8-14(17(21,22)23)25-15-10(11)4-3-5-12(15)16(18,19)20/h3-5,8,13,24,27H,6-7,9H2,1-2H3
InChIKeyYXHSZZPOIVFHSD-UHFFFAOYSA-N
MW395.35 g/mol
LogP3.46
Rot. Bonds6

About 1-[2,8-bis(trifluoromethyl)quinolin-4-yl]-2-[2-(dimethylamino)ethylamino]ethanol

1-[2,8-bis(trifluoromethyl)quinolin-4-yl]-2-[2-(dimethylamino)ethylamino]ethanol (PubChem CID 54578090) has the molecular formula C17H19F6N3O and a molecular weight of 395.35 g/mol. Its IUPAC name is 1-[2,8-bis(trifluoromethyl)quinolin-4-yl]-2-[2-(dimethylamino)ethylamino]ethanol.

Molecular Properties

Compound Name1-[2,8-bis(trifluoromethyl)quinolin-4-yl]-2-[2-(dimethylamino)ethylamino]ethanol
PubChem CID54578090
Molecular FormulaC17H19F6N3O
Molecular Weight395.35 g/mol
Exact Mass395.14
IUPAC Name1-[2,8-bis(trifluoromethyl)quinolin-4-yl]-2-[2-(dimethylamino)ethylamino]ethanol
SMILESCN(C)CCNCC(O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12
InChIInChI=1S/C17H19F6N3O/c1-26(2)7-6-24-9-13(27)11-8-14(17(21,22)23)25-15-10(11)4-3-5-12(15)16(18,19)20/h3-5,8,13,24,27H,6-7,9H2,1-2H3
InChIKeyYXHSZZPOIVFHSD-UHFFFAOYSA-N
XLogP3.46
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.35
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[2,8-bis(trifluoromethyl)quinolin-4-yl]-2-[2-(dimethylamino)ethylamino]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2,8-bis(trifluoromethyl)quinolin-4-yl]-2-(octylamino)ethanol
CID 88920621
2-(3-aminopropylamino)-1-[2,8-bis(trifluoromethyl)quinolin-4-yl]ethanol
CID 155554789
1-[2,8-bis(trifluoromethyl)quinolin-4-yl]-2-(but-3-ynylamino)ethanol
CID 155566747
5-[2-[[2-[2,8-bis(trifluoromethyl)quinolin-4-yl]-2-hydroxyethyl]amino]ethyl]-2-methylphenol
CID 90734320
2-[2-aminoethyl(methyl)amino]-1-[2,8-bis(trifluoromethyl)quinolin-4-yl]ethanol
CID 54577658
1-[2,8-bis(trifluoromethyl)quinolin-4-yl]-2-[1-(tert-butylamino)propan-2-ylamino]ethanol
CID 54577873
(1R)-1-[2,8-bis(trifluoromethyl)quinolin-4-yl]ethanol
CID 125493987
1-[2-methyl-8-(trifluoromethyl)quinolin-4-yl]-2-(prop-2-enylamino)ethanol
CID 91075369
2-(2-azabicyclo[2.2.1]heptan-4-ylmethylamino)-1-[2,8-bis(trifluoromethyl)quinolin-4-yl]ethanol
CID 71588119
1-[2,8-bis(trifluoromethyl)quinolin-4-yl]-2-[[3-(1-methylpyrazol-3-yl)phenyl]methylamino]ethanol
CID 91116461
1-[2,8-bis(trifluoromethyl)quinolin-4-yl]-2-pyrrolidin-1-ylethanol
CID 23004032
1-[2,8-bis(trifluoromethyl)quinolin-4-yl]-2-[1-(cyclopentylamino)propan-2-ylamino]ethanol
CID 54577876

Frequently Asked Questions

What is the IUPAC name of 1-[2,8-bis(trifluoromethyl)quinolin-4-yl]-2-[2-(dimethylamino)ethylamino]ethanol?
The IUPAC name of 1-[2,8-bis(trifluoromethyl)quinolin-4-yl]-2-[2-(dimethylamino)ethylamino]ethanol (CID 54578090) is 1-[2,8-bis(trifluoromethyl)quinolin-4-yl]-2-[2-(dimethylamino)ethylamino]ethanol.
What is the SMILES notation for 1-[2,8-bis(trifluoromethyl)quinolin-4-yl]-2-[2-(dimethylamino)ethylamino]ethanol?
The canonical SMILES for 1-[2,8-bis(trifluoromethyl)quinolin-4-yl]-2-[2-(dimethylamino)ethylamino]ethanol is CN(C)CCNCC(O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12.
What is the InChIKey of 1-[2,8-bis(trifluoromethyl)quinolin-4-yl]-2-[2-(dimethylamino)ethylamino]ethanol?
The InChIKey is YXHSZZPOIVFHSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F6N3O/c1-26(2)7-6-24-9-13(27)11-8-14(17(21,22)23)25-15-10(11)4-3-5-12(15)16(18,19)20/h3-5,8,13,24,27H,6-7,9H2,1-2H3.
What are the key properties of 1-[2,8-bis(trifluoromethyl)quinolin-4-yl]-2-[2-(dimethylamino)ethylamino]ethanol?
1-[2,8-bis(trifluoromethyl)quinolin-4-yl]-2-[2-(dimethylamino)ethylamino]ethanol has a molecular weight of 395.35 g/mol, XLogP of 3.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,8-bis(trifluoromethyl)quinolin-4-yl]-2-[2-(dimethylamino)ethylamino]ethanol is sourced from PubChem (CID 54578090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).