3-(1-hydroxy-1-quinolin-6-ylethyl)benzonitrile

C18H14N2O — CID 115481316

IUPAC3-(1-hydroxy-1-quinolin-6-ylethyl)benzonitrile
SMILESCC(O)(c1cccc(C#N)c1)c1ccc2ncccc2c1
InChIInChI=1S/C18H14N2O/c1-18(21,15-6-2-4-13(10-15)12-19)16-7-8-17-14(11-16)5-3-9-20-17/h2-11,21H,1H3
InChIKeyQPUGVZUOFZCZFD-UHFFFAOYSA-N
MW274.32 g/mol
LogP3.36
Rot. Bonds2

About 3-(1-hydroxy-1-quinolin-6-ylethyl)benzonitrile

3-(1-hydroxy-1-quinolin-6-ylethyl)benzonitrile (PubChem CID 115481316) has the molecular formula C18H14N2O and a molecular weight of 274.32 g/mol. Its IUPAC name is 3-(1-hydroxy-1-quinolin-6-ylethyl)benzonitrile.

Molecular Properties

Compound Name3-(1-hydroxy-1-quinolin-6-ylethyl)benzonitrile
PubChem CID115481316
Molecular FormulaC18H14N2O
Molecular Weight274.32 g/mol
Exact Mass274.11
IUPAC Name3-(1-hydroxy-1-quinolin-6-ylethyl)benzonitrile
SMILESCC(O)(c1cccc(C#N)c1)c1ccc2ncccc2c1
InChIInChI=1S/C18H14N2O/c1-18(21,15-6-2-4-13(10-15)12-19)16-7-8-17-14(11-16)5-3-9-20-17/h2-11,21H,1H3
InChIKeyQPUGVZUOFZCZFD-UHFFFAOYSA-N
XLogP3.36
TPSA56.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1-hydroxy-1-quinolin-6-ylethyl)phenol
CID 83076007
1-(4-chlorophenyl)-1-quinolin-6-ylethanol
CID 81216254
1-(3-fluoro-4-methylphenyl)-1-quinolin-6-ylethanol
CID 81198431
3-[1-(4-fluorophenyl)-1-hydroxyethyl]benzonitrile
CID 115481471
1-(2-fluorophenyl)-1-quinolin-6-ylethanol
CID 81215960
6-tert-butylquinoline;7-tert-butylquinoline
CID 159076219
3-[1-hydroxy-1-(3-propylphenyl)ethyl]benzonitrile
CID 116542774
3-[1-(4-bromo-1,3-thiazol-2-yl)-1-hydroxyethyl]benzonitrile
CID 114684428
3-[1-(2,5-dimethylphenyl)-1-hydroxyethyl]benzonitrile
CID 115481441
3-[1-hydroxy-1-(7-methyl-1-benzofuran-2-yl)ethyl]benzonitrile
CID 114724507
2-quinolin-6-ylheptan-2-ol
CID 81215851
6-(2-methylsulfonylpropan-2-yl)quinoline
CID 91258076

Frequently Asked Questions

What is the IUPAC name of 3-(1-hydroxy-1-quinolin-6-ylethyl)benzonitrile?
The IUPAC name of 3-(1-hydroxy-1-quinolin-6-ylethyl)benzonitrile (CID 115481316) is 3-(1-hydroxy-1-quinolin-6-ylethyl)benzonitrile.
What is the SMILES notation for 3-(1-hydroxy-1-quinolin-6-ylethyl)benzonitrile?
The canonical SMILES for 3-(1-hydroxy-1-quinolin-6-ylethyl)benzonitrile is CC(O)(c1cccc(C#N)c1)c1ccc2ncccc2c1.
What is the InChIKey of 3-(1-hydroxy-1-quinolin-6-ylethyl)benzonitrile?
The InChIKey is QPUGVZUOFZCZFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O/c1-18(21,15-6-2-4-13(10-15)12-19)16-7-8-17-14(11-16)5-3-9-20-17/h2-11,21H,1H3.
What are the key properties of 3-(1-hydroxy-1-quinolin-6-ylethyl)benzonitrile?
3-(1-hydroxy-1-quinolin-6-ylethyl)benzonitrile has a molecular weight of 274.32 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-hydroxy-1-quinolin-6-ylethyl)benzonitrile is sourced from PubChem (CID 115481316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).