2-[(6-chloroquinolin-8-yl)methylamino]-1-(4-fluorophenyl)ethanol

C18H16ClFN2O — CID 110891336

IUPAC2-[(6-chloroquinolin-8-yl)methylamino]-1-(4-fluorophenyl)ethanol
SMILESOC(CNCc1cc(Cl)cc2cccnc12)c1ccc(F)cc1
InChIInChI=1S/C18H16ClFN2O/c19-15-8-13-2-1-7-22-18(13)14(9-15)10-21-11-17(23)12-3-5-16(20)6-4-12/h1-9,17,21,23H,10-11H2
InChIKeyBYCPMDFBFHIWOW-UHFFFAOYSA-N
MW330.79 g/mol
LogP3.85
Rot. Bonds5

About 2-[(6-chloroquinolin-8-yl)methylamino]-1-(4-fluorophenyl)ethanol

2-[(6-chloroquinolin-8-yl)methylamino]-1-(4-fluorophenyl)ethanol (PubChem CID 110891336) has the molecular formula C18H16ClFN2O and a molecular weight of 330.79 g/mol. Its IUPAC name is 2-[(6-chloroquinolin-8-yl)methylamino]-1-(4-fluorophenyl)ethanol.

Molecular Properties

Compound Name2-[(6-chloroquinolin-8-yl)methylamino]-1-(4-fluorophenyl)ethanol
PubChem CID110891336
Molecular FormulaC18H16ClFN2O
Molecular Weight330.79 g/mol
Exact Mass330.09
IUPAC Name2-[(6-chloroquinolin-8-yl)methylamino]-1-(4-fluorophenyl)ethanol
SMILESOC(CNCc1cc(Cl)cc2cccnc12)c1ccc(F)cc1
InChIInChI=1S/C18H16ClFN2O/c19-15-8-13-2-1-7-22-18(13)14(9-15)10-21-11-17(23)12-3-5-16(20)6-4-12/h1-9,17,21,23H,10-11H2
InChIKeyBYCPMDFBFHIWOW-UHFFFAOYSA-N
XLogP3.85
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.79
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Vacquinol-1
CID 224644
(R)-1-((R)-3-Chloro-phenyl)-2-[2-(1H-indol-3-yl)-1-methyl-ethylamino]-ethanol
CID 9927453
1-(3-Chloro-phenyl)-2-[2-(1H-indol-3-yl)-1-methyl-ethylamino]-ethanol
CID 11324939
1-Acridinol, 1,2,3,4-tetrahydro-9-(((3-chlorophenyl)methyl)amino)-
CID 3025630
(S)-[2-(4-chlorophenyl)quinolin-4-yl]-[(2S)-piperidin-2-yl]methanol
CID 3246043
(R)-1-((S)-3-Chloro-phenyl)-2-[2-(1H-indol-3-yl)-1-methyl-ethylamino]-ethanol
CID 11270069
(S)-1-((R)-3-Chloro-phenyl)-2-[2-(1H-indol-3-yl)-1-methyl-ethylamino]-ethanol
CID 11270071
(S)-1-((S)-3-Chloro-phenyl)-2-[2-(1H-indol-3-yl)-1-methyl-ethylamino]-ethanol
CID 11381882
(1S,2R)-1-(5-chloro-1H-indol-1-yl)-1-(3-fluorophenyl)-3-(methylamino)propan-2-ol
CID 45483120
[3-[(7-Chloro-4-quinolyl)amino]phenyl]methanol
CID 66554431
[2-[(7-Chloroquinolin-4-yl)amino]phenyl]methanol
CID 69173059
2-[4-[3-chloro-4-[[(1R)-1-(2-fluorophenyl)ethyl]amino]quinolin-6-yl]phenyl]propan-2-ol
CID 126532592

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloroquinolin-8-yl)methylamino]-1-(4-fluorophenyl)ethanol?
The IUPAC name of 2-[(6-chloroquinolin-8-yl)methylamino]-1-(4-fluorophenyl)ethanol (CID 110891336) is 2-[(6-chloroquinolin-8-yl)methylamino]-1-(4-fluorophenyl)ethanol.
What is the SMILES notation for 2-[(6-chloroquinolin-8-yl)methylamino]-1-(4-fluorophenyl)ethanol?
The canonical SMILES for 2-[(6-chloroquinolin-8-yl)methylamino]-1-(4-fluorophenyl)ethanol is OC(CNCc1cc(Cl)cc2cccnc12)c1ccc(F)cc1.
What is the InChIKey of 2-[(6-chloroquinolin-8-yl)methylamino]-1-(4-fluorophenyl)ethanol?
The InChIKey is BYCPMDFBFHIWOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClFN2O/c19-15-8-13-2-1-7-22-18(13)14(9-15)10-21-11-17(23)12-3-5-16(20)6-4-12/h1-9,17,21,23H,10-11H2.
What are the key properties of 2-[(6-chloroquinolin-8-yl)methylamino]-1-(4-fluorophenyl)ethanol?
2-[(6-chloroquinolin-8-yl)methylamino]-1-(4-fluorophenyl)ethanol has a molecular weight of 330.79 g/mol, XLogP of 3.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloroquinolin-8-yl)methylamino]-1-(4-fluorophenyl)ethanol is sourced from PubChem (CID 110891336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).