3-(1-hydroxy-2-quinolin-2-ylethyl)benzonitrile

C18H14N2O — CID 115481180

IUPAC3-(1-hydroxy-2-quinolin-2-ylethyl)benzonitrile
SMILESN#Cc1cccc(C(O)Cc2ccc3ccccc3n2)c1
InChIInChI=1S/C18H14N2O/c19-12-13-4-3-6-15(10-13)18(21)11-16-9-8-14-5-1-2-7-17(14)20-16/h1-10,18,21H,11H2
InChIKeyNODIAXGVCATUIW-UHFFFAOYSA-N
MW274.32 g/mol
LogP3.38
Rot. Bonds3

About 3-(1-hydroxy-2-quinolin-2-ylethyl)benzonitrile

3-(1-hydroxy-2-quinolin-2-ylethyl)benzonitrile (PubChem CID 115481180) has the molecular formula C18H14N2O and a molecular weight of 274.32 g/mol. Its IUPAC name is 3-(1-hydroxy-2-quinolin-2-ylethyl)benzonitrile.

Molecular Properties

Compound Name3-(1-hydroxy-2-quinolin-2-ylethyl)benzonitrile
PubChem CID115481180
Molecular FormulaC18H14N2O
Molecular Weight274.32 g/mol
Exact Mass274.11
IUPAC Name3-(1-hydroxy-2-quinolin-2-ylethyl)benzonitrile
SMILESN#Cc1cccc(C(O)Cc2ccc3ccccc3n2)c1
InChIInChI=1S/C18H14N2O/c19-12-13-4-3-6-15(10-13)18(21)11-16-9-8-14-5-1-2-7-17(14)20-16/h1-10,18,21H,11H2
InChIKeyNODIAXGVCATUIW-UHFFFAOYSA-N
XLogP3.38
TPSA56.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-phenyl-2-quinolin-2-ylethanol
CID 92849987
1-(2-methyl-4-pyridinyl)-2-quinolin-2-ylethanol
CID 106756244
3-[(1R)-2-amino-1-hydroxyethyl]benzonitrile;hydrochloride
CID 91662955
3-[(1R)-1-hydroxypropyl]benzonitrile
CID 71419733
2-quinolin-2-yl-1-[4-(trifluoromethyl)phenyl]ethanol
CID 2778952
2-(1-phenyl-2-quinolin-2-ylethyl)propanedinitrile
CID 102429649
3-[2-(furan-2-yl)-1-hydroxyethyl]benzonitrile
CID 83173061
2-[2-bromo-2-(3-bromophenyl)ethyl]quinoline
CID 66461440
3-[1-hydroxy-2-(2-methoxyphenyl)ethyl]benzonitrile
CID 115481188
3-(5,5,5-trifluoro-1-hydroxypentyl)benzonitrile
CID 115515722
3-[(R)-hydroxy(naphthalen-1-yl)methyl]benzonitrile
CID 102032186
1-(2,5-dichlorothiophen-3-yl)-2-quinolin-2-ylethanol
CID 107967248

Frequently Asked Questions

What is the IUPAC name of 3-(1-hydroxy-2-quinolin-2-ylethyl)benzonitrile?
The IUPAC name of 3-(1-hydroxy-2-quinolin-2-ylethyl)benzonitrile (CID 115481180) is 3-(1-hydroxy-2-quinolin-2-ylethyl)benzonitrile.
What is the SMILES notation for 3-(1-hydroxy-2-quinolin-2-ylethyl)benzonitrile?
The canonical SMILES for 3-(1-hydroxy-2-quinolin-2-ylethyl)benzonitrile is N#Cc1cccc(C(O)Cc2ccc3ccccc3n2)c1.
What is the InChIKey of 3-(1-hydroxy-2-quinolin-2-ylethyl)benzonitrile?
The InChIKey is NODIAXGVCATUIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O/c19-12-13-4-3-6-15(10-13)18(21)11-16-9-8-14-5-1-2-7-17(14)20-16/h1-10,18,21H,11H2.
What are the key properties of 3-(1-hydroxy-2-quinolin-2-ylethyl)benzonitrile?
3-(1-hydroxy-2-quinolin-2-ylethyl)benzonitrile has a molecular weight of 274.32 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-hydroxy-2-quinolin-2-ylethyl)benzonitrile is sourced from PubChem (CID 115481180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).