2-(2-azabicyclo[2.2.1]heptan-4-ylmethylamino)-1-[2,8-bis(trifluoromethyl)quinolin-4-yl]ethanol

C20H21F6N3O — CID 71588119

IUPAC2-(2-azabicyclo[2.2.1]heptan-4-ylmethylamino)-1-[2,8-bis(trifluoromethyl)quinolin-4-yl]ethanol
SMILESOC(CNCC12CCC(C1)NC2)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12
InChIInChI=1S/C20H21F6N3O/c21-19(22,23)14-3-1-2-12-13(6-16(20(24,25)26)29-17(12)14)15(30)8-27-9-18-5-4-11(7-18)28-10-18/h1-3,6,11,15,27-28,30H,4-5,7-10H2
InChIKeyGDWQUBHISBTRGK-UHFFFAOYSA-N
MW433.40 g/mol
LogP4.04
Rot. Bonds5

About 2-(2-azabicyclo[2.2.1]heptan-4-ylmethylamino)-1-[2,8-bis(trifluoromethyl)quinolin-4-yl]ethanol

2-(2-azabicyclo[2.2.1]heptan-4-ylmethylamino)-1-[2,8-bis(trifluoromethyl)quinolin-4-yl]ethanol (PubChem CID 71588119) has the molecular formula C20H21F6N3O and a molecular weight of 433.40 g/mol. Its IUPAC name is 2-(2-azabicyclo[2.2.1]heptan-4-ylmethylamino)-1-[2,8-bis(trifluoromethyl)quinolin-4-yl]ethanol.

Molecular Properties

Compound Name2-(2-azabicyclo[2.2.1]heptan-4-ylmethylamino)-1-[2,8-bis(trifluoromethyl)quinolin-4-yl]ethanol
PubChem CID71588119
Molecular FormulaC20H21F6N3O
Molecular Weight433.40 g/mol
Exact Mass433.16
IUPAC Name2-(2-azabicyclo[2.2.1]heptan-4-ylmethylamino)-1-[2,8-bis(trifluoromethyl)quinolin-4-yl]ethanol
SMILESOC(CNCC12CCC(C1)NC2)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12
InChIInChI=1S/C20H21F6N3O/c21-19(22,23)14-3-1-2-12-13(6-16(20(24,25)26)29-17(12)14)15(30)8-27-9-18-5-4-11(7-18)28-10-18/h1-3,6,11,15,27-28,30H,4-5,7-10H2
InChIKeyGDWQUBHISBTRGK-UHFFFAOYSA-N
XLogP4.04
TPSA57.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.40
LogP ≤ 54.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-(2-azabicyclo[2.2.1]heptan-4-ylmethylamino)-1-[2,8-bis(trifluoromethyl)quinolin-4-yl]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 2-(2-azabicyclo[2.2.1]heptan-4-ylmethylamino)-1-[2,8-bis(trifluoromethyl)quinolin-4-yl]ethanol?
The IUPAC name of 2-(2-azabicyclo[2.2.1]heptan-4-ylmethylamino)-1-[2,8-bis(trifluoromethyl)quinolin-4-yl]ethanol (CID 71588119) is 2-(2-azabicyclo[2.2.1]heptan-4-ylmethylamino)-1-[2,8-bis(trifluoromethyl)quinolin-4-yl]ethanol.
What is the SMILES notation for 2-(2-azabicyclo[2.2.1]heptan-4-ylmethylamino)-1-[2,8-bis(trifluoromethyl)quinolin-4-yl]ethanol?
The canonical SMILES for 2-(2-azabicyclo[2.2.1]heptan-4-ylmethylamino)-1-[2,8-bis(trifluoromethyl)quinolin-4-yl]ethanol is OC(CNCC12CCC(C1)NC2)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12.
What is the InChIKey of 2-(2-azabicyclo[2.2.1]heptan-4-ylmethylamino)-1-[2,8-bis(trifluoromethyl)quinolin-4-yl]ethanol?
The InChIKey is GDWQUBHISBTRGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F6N3O/c21-19(22,23)14-3-1-2-12-13(6-16(20(24,25)26)29-17(12)14)15(30)8-27-9-18-5-4-11(7-18)28-10-18/h1-3,6,11,15,27-28,30H,4-5,7-10H2.
What are the key properties of 2-(2-azabicyclo[2.2.1]heptan-4-ylmethylamino)-1-[2,8-bis(trifluoromethyl)quinolin-4-yl]ethanol?
2-(2-azabicyclo[2.2.1]heptan-4-ylmethylamino)-1-[2,8-bis(trifluoromethyl)quinolin-4-yl]ethanol has a molecular weight of 433.40 g/mol, XLogP of 4.04, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-azabicyclo[2.2.1]heptan-4-ylmethylamino)-1-[2,8-bis(trifluoromethyl)quinolin-4-yl]ethanol is sourced from PubChem (CID 71588119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).