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

C15H14F6N2O2 — CID 46232406

IUPAC1-[2,8-bis(trifluoromethyl)quinolin-4-yl]-2-(2-hydroxyethylamino)ethanol
SMILESOCCNCC(O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12
InChIInChI=1S/C15H14F6N2O2/c16-14(17,18)10-3-1-2-8-9(11(25)7-22-4-5-24)6-12(15(19,20)21)23-13(8)10/h1-3,6,11,22,24-25H,4-5,7H2
InChIKeyVXHJCXNRDBFYPT-UHFFFAOYSA-N
MW368.28 g/mol
LogP2.89
Rot. Bonds5

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

1-[2,8-bis(trifluoromethyl)quinolin-4-yl]-2-(2-hydroxyethylamino)ethanol (PubChem CID 46232406) has the molecular formula C15H14F6N2O2 and a molecular weight of 368.28 g/mol. Its IUPAC name is 1-[2,8-bis(trifluoromethyl)quinolin-4-yl]-2-(2-hydroxyethylamino)ethanol.

Molecular Properties

Compound Name1-[2,8-bis(trifluoromethyl)quinolin-4-yl]-2-(2-hydroxyethylamino)ethanol
PubChem CID46232406
Molecular FormulaC15H14F6N2O2
Molecular Weight368.28 g/mol
Exact Mass368.10
IUPAC Name1-[2,8-bis(trifluoromethyl)quinolin-4-yl]-2-(2-hydroxyethylamino)ethanol
SMILESOCCNCC(O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12
InChIInChI=1S/C15H14F6N2O2/c16-14(17,18)10-3-1-2-8-9(11(25)7-22-4-5-24)6-12(15(19,20)21)23-13(8)10/h1-3,6,11,22,24-25H,4-5,7H2
InChIKeyVXHJCXNRDBFYPT-UHFFFAOYSA-N
XLogP2.89
TPSA65.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.28
LogP ≤ 52.89
H-Bond Donors ≤ 53
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-hydroxyethylamino)ethanol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2,8-bis(trifluoromethyl)quinolin-4-yl]-2-(2-hydroxyethylamino)ethanol?
The IUPAC name of 1-[2,8-bis(trifluoromethyl)quinolin-4-yl]-2-(2-hydroxyethylamino)ethanol (CID 46232406) is 1-[2,8-bis(trifluoromethyl)quinolin-4-yl]-2-(2-hydroxyethylamino)ethanol.
What is the SMILES notation for 1-[2,8-bis(trifluoromethyl)quinolin-4-yl]-2-(2-hydroxyethylamino)ethanol?
The canonical SMILES for 1-[2,8-bis(trifluoromethyl)quinolin-4-yl]-2-(2-hydroxyethylamino)ethanol is OCCNCC(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-hydroxyethylamino)ethanol?
The InChIKey is VXHJCXNRDBFYPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F6N2O2/c16-14(17,18)10-3-1-2-8-9(11(25)7-22-4-5-24)6-12(15(19,20)21)23-13(8)10/h1-3,6,11,22,24-25H,4-5,7H2.
What are the key properties of 1-[2,8-bis(trifluoromethyl)quinolin-4-yl]-2-(2-hydroxyethylamino)ethanol?
1-[2,8-bis(trifluoromethyl)quinolin-4-yl]-2-(2-hydroxyethylamino)ethanol has a molecular weight of 368.28 g/mol, XLogP of 2.89, 5 rotatable bonds, 3 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-hydroxyethylamino)ethanol is sourced from PubChem (CID 46232406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).