2-[(2-chloroquinolin-3-yl)methyl-(2,2-difluoroethyl)amino]ethanol

C14H15ClF2N2O — CID 107479153

IUPAC2-[(2-chloroquinolin-3-yl)methyl-(2,2-difluoroethyl)amino]ethanol
SMILESOCCN(Cc1cc2ccccc2nc1Cl)CC(F)F
InChIInChI=1S/C14H15ClF2N2O/c15-14-11(8-19(5-6-20)9-13(16)17)7-10-3-1-2-4-12(10)18-14/h1-4,7,13,20H,5-6,8-9H2
InChIKeyMLXWFXGIXLLHFR-UHFFFAOYSA-N
MW300.74 g/mol
LogP2.95
Rot. Bonds6

About 2-[(2-chloroquinolin-3-yl)methyl-(2,2-difluoroethyl)amino]ethanol

2-[(2-chloroquinolin-3-yl)methyl-(2,2-difluoroethyl)amino]ethanol (PubChem CID 107479153) has the molecular formula C14H15ClF2N2O and a molecular weight of 300.74 g/mol. Its IUPAC name is 2-[(2-chloroquinolin-3-yl)methyl-(2,2-difluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(2-chloroquinolin-3-yl)methyl-(2,2-difluoroethyl)amino]ethanol
PubChem CID107479153
Molecular FormulaC14H15ClF2N2O
Molecular Weight300.74 g/mol
Exact Mass300.08
IUPAC Name2-[(2-chloroquinolin-3-yl)methyl-(2,2-difluoroethyl)amino]ethanol
SMILESOCCN(Cc1cc2ccccc2nc1Cl)CC(F)F
InChIInChI=1S/C14H15ClF2N2O/c15-14-11(8-19(5-6-20)9-13(16)17)7-10-3-1-2-4-12(10)18-14/h1-4,7,13,20H,5-6,8-9H2
InChIKeyMLXWFXGIXLLHFR-UHFFFAOYSA-N
XLogP2.95
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.74
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloroquinolin-3-yl)methyl-(2,2-difluoroethyl)amino]ethanol?
The IUPAC name of 2-[(2-chloroquinolin-3-yl)methyl-(2,2-difluoroethyl)amino]ethanol (CID 107479153) is 2-[(2-chloroquinolin-3-yl)methyl-(2,2-difluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[(2-chloroquinolin-3-yl)methyl-(2,2-difluoroethyl)amino]ethanol?
The canonical SMILES for 2-[(2-chloroquinolin-3-yl)methyl-(2,2-difluoroethyl)amino]ethanol is OCCN(Cc1cc2ccccc2nc1Cl)CC(F)F.
What is the InChIKey of 2-[(2-chloroquinolin-3-yl)methyl-(2,2-difluoroethyl)amino]ethanol?
The InChIKey is MLXWFXGIXLLHFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClF2N2O/c15-14-11(8-19(5-6-20)9-13(16)17)7-10-3-1-2-4-12(10)18-14/h1-4,7,13,20H,5-6,8-9H2.
What are the key properties of 2-[(2-chloroquinolin-3-yl)methyl-(2,2-difluoroethyl)amino]ethanol?
2-[(2-chloroquinolin-3-yl)methyl-(2,2-difluoroethyl)amino]ethanol has a molecular weight of 300.74 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloroquinolin-3-yl)methyl-(2,2-difluoroethyl)amino]ethanol is sourced from PubChem (CID 107479153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).