1-(4-chloroquinolin-6-yl)-1-(3-fluoro-2-pyridinyl)ethanol

C16H12ClFN2O — CID 175960432

IUPAC1-(4-chloroquinolin-6-yl)-1-(3-fluoro-2-pyridinyl)ethanol
SMILESCC(O)(c1ccc2nccc(Cl)c2c1)c1ncccc1F
InChIInChI=1S/C16H12ClFN2O/c1-16(21,15-13(18)3-2-7-20-15)10-4-5-14-11(9-10)12(17)6-8-19-14/h2-9,21H,1H3
InChIKeyAHGWKKDAHCJWHN-UHFFFAOYSA-N
MW302.74 g/mol
LogP3.68
Rot. Bonds2

About 1-(4-chloroquinolin-6-yl)-1-(3-fluoro-2-pyridinyl)ethanol

1-(4-chloroquinolin-6-yl)-1-(3-fluoro-2-pyridinyl)ethanol (PubChem CID 175960432) has the molecular formula C16H12ClFN2O and a molecular weight of 302.74 g/mol. Its IUPAC name is 1-(4-chloroquinolin-6-yl)-1-(3-fluoro-2-pyridinyl)ethanol.

Molecular Properties

Compound Name1-(4-chloroquinolin-6-yl)-1-(3-fluoro-2-pyridinyl)ethanol
PubChem CID175960432
Molecular FormulaC16H12ClFN2O
Molecular Weight302.74 g/mol
Exact Mass302.06
IUPAC Name1-(4-chloroquinolin-6-yl)-1-(3-fluoro-2-pyridinyl)ethanol
SMILESCC(O)(c1ccc2nccc(Cl)c2c1)c1ncccc1F
InChIInChI=1S/C16H12ClFN2O/c1-16(21,15-13(18)3-2-7-20-15)10-4-5-14-11(9-10)12(17)6-8-19-14/h2-9,21H,1H3
InChIKeyAHGWKKDAHCJWHN-UHFFFAOYSA-N
XLogP3.68
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.74
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-(4-chloroquinolin-6-yl)-1-(3-fluoro-2-pyridinyl)ethanol
CID 175960426
1-(4-chlorophenyl)-1-quinolin-6-ylethanol
CID 81216254
1-(2-fluorophenyl)-1-quinolin-6-ylethanol
CID 81215960
4-chloro-N-methylquinolin-6-amine
CID 157043807
1-(3-fluoro-4-methylphenyl)-1-quinolin-6-ylethanol
CID 81198431
4-chloro-N-[(3-fluoro-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methyl]quinoline-6-carboxamide
CID 71144078
4-chloro-6-methylquinoline;hydrobromide
CID 163342564
3-fluoro-2-(trichloromethyl)pyridine
CID 150537766
4-(1-hydroxy-1-quinolin-6-ylethyl)phenol
CID 83076007
(2S)-2-amino-2-(3-fluoro-2-pyridinyl)propan-1-ol
CID 55276302
4-chloroquinoline;ethane
CID 91461667
[2-(3-fluoro-2-pyridinyl)-4-methylpentan-2-yl]phosphane
CID 144912457

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloroquinolin-6-yl)-1-(3-fluoro-2-pyridinyl)ethanol?
The IUPAC name of 1-(4-chloroquinolin-6-yl)-1-(3-fluoro-2-pyridinyl)ethanol (CID 175960432) is 1-(4-chloroquinolin-6-yl)-1-(3-fluoro-2-pyridinyl)ethanol.
What is the SMILES notation for 1-(4-chloroquinolin-6-yl)-1-(3-fluoro-2-pyridinyl)ethanol?
The canonical SMILES for 1-(4-chloroquinolin-6-yl)-1-(3-fluoro-2-pyridinyl)ethanol is CC(O)(c1ccc2nccc(Cl)c2c1)c1ncccc1F.
What is the InChIKey of 1-(4-chloroquinolin-6-yl)-1-(3-fluoro-2-pyridinyl)ethanol?
The InChIKey is AHGWKKDAHCJWHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClFN2O/c1-16(21,15-13(18)3-2-7-20-15)10-4-5-14-11(9-10)12(17)6-8-19-14/h2-9,21H,1H3.
What are the key properties of 1-(4-chloroquinolin-6-yl)-1-(3-fluoro-2-pyridinyl)ethanol?
1-(4-chloroquinolin-6-yl)-1-(3-fluoro-2-pyridinyl)ethanol has a molecular weight of 302.74 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloroquinolin-6-yl)-1-(3-fluoro-2-pyridinyl)ethanol is sourced from PubChem (CID 175960432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).