2-[(7-chloroquinolin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol

C13H12ClF3N2O — CID 107484431

IUPAC2-[(7-chloroquinolin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol
SMILESOCCN(CC(F)(F)F)c1ccnc2cc(Cl)ccc12
InChIInChI=1S/C13H12ClF3N2O/c14-9-1-2-10-11(7-9)18-4-3-12(10)19(5-6-20)8-13(15,16)17/h1-4,7,20H,5-6,8H2
InChIKeyHGWQTVGKMLNUPE-UHFFFAOYSA-N
MW304.70 g/mol
LogP3.25
Rot. Bonds4

About 2-[(7-chloroquinolin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol

2-[(7-chloroquinolin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol (PubChem CID 107484431) has the molecular formula C13H12ClF3N2O and a molecular weight of 304.70 g/mol. Its IUPAC name is 2-[(7-chloroquinolin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(7-chloroquinolin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol
PubChem CID107484431
Molecular FormulaC13H12ClF3N2O
Molecular Weight304.70 g/mol
Exact Mass304.06
IUPAC Name2-[(7-chloroquinolin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol
SMILESOCCN(CC(F)(F)F)c1ccnc2cc(Cl)ccc12
InChIInChI=1S/C13H12ClF3N2O/c14-9-1-2-10-11(7-9)18-4-3-12(10)19(5-6-20)8-13(15,16)17/h1-4,7,20H,5-6,8H2
InChIKeyHGWQTVGKMLNUPE-UHFFFAOYSA-N
XLogP3.25
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.70
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(7-chloroquinolin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol with MolForge

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Related Compounds

N'-(7-chloroquinolin-4-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 107494340
2-[(7-chloroquinolin-4-yl)-methylamino]ethanol
CID 60631611
2-[(6-chloroquinolin-4-yl)-ethylamino]ethanol
CID 110434356
2-[2-(aminomethyl)-5-chloro-N-(2,2,2-trifluoroethyl)anilino]ethanol
CID 107478489
5-[(7-chloroquinolin-4-yl)-methylamino]pentan-1-ol
CID 107203509
7-chloro-N-ethyl-N-methylquinolin-4-amine
CID 123939218
N-(3-aminopropyl)-N-(7-chloroquinolin-4-yl)-2,2,3,3,4,4,4-heptafluorobutanamide
CID 87205570
1-[(7-chloroquinolin-4-yl)-methylamino]propan-2-ol
CID 55061126
N',N'-bis(7-chloroquinolin-4-yl)octane-1,8-diamine
CID 57117786
N'-(7-chloroquinolin-4-yl)-N'-[3-(diethylamino)propyl]propane-1,3-diamine
CID 66921220
2-[[4-(hydroxymethyl)-2-pyridinyl]-(2,2,2-trifluoroethyl)amino]ethanol
CID 107484659
N,N'-bis(7-chloroquinolin-4-yl)-N'-[2-[2-[(7-chloroquinolin-4-yl)-[2-[(7-chloroquinolin-4-yl)amino]ethyl]amino]ethyl-methylamino]ethyl]ethane-1,2-diamine;N-(7-chloroquinolin-4-yl)-N'-[2-[(7-chloroquinolin-4-yl)-[2-[(7-chloroquinolin-4-yl)amino]ethyl]amino]ethyl]-N'-methylethane-1,2-diamine
CID 160577871

Frequently Asked Questions

What is the IUPAC name of 2-[(7-chloroquinolin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol?
The IUPAC name of 2-[(7-chloroquinolin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol (CID 107484431) is 2-[(7-chloroquinolin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[(7-chloroquinolin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol?
The canonical SMILES for 2-[(7-chloroquinolin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol is OCCN(CC(F)(F)F)c1ccnc2cc(Cl)ccc12.
What is the InChIKey of 2-[(7-chloroquinolin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol?
The InChIKey is HGWQTVGKMLNUPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClF3N2O/c14-9-1-2-10-11(7-9)18-4-3-12(10)19(5-6-20)8-13(15,16)17/h1-4,7,20H,5-6,8H2.
What are the key properties of 2-[(7-chloroquinolin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol?
2-[(7-chloroquinolin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol has a molecular weight of 304.70 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-chloroquinolin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol is sourced from PubChem (CID 107484431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).