2-[hydroxy(quinolin-6-yl)methyl]-2-methylbutanenitrile

C15H16N2O — CID 79133168

IUPAC2-[hydroxy(quinolin-6-yl)methyl]-2-methylbutanenitrile
SMILESCCC(C)(C#N)C(O)c1ccc2ncccc2c1
InChIInChI=1S/C15H16N2O/c1-3-15(2,10-16)14(18)12-6-7-13-11(9-12)5-4-8-17-13/h4-9,14,18H,3H2,1-2H3
InChIKeyDDOIBPLNQMUWSS-UHFFFAOYSA-N
MW240.31 g/mol
LogP3.21
Rot. Bonds3

About 2-[hydroxy(quinolin-6-yl)methyl]-2-methylbutanenitrile

2-[hydroxy(quinolin-6-yl)methyl]-2-methylbutanenitrile (PubChem CID 79133168) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 2-[hydroxy(quinolin-6-yl)methyl]-2-methylbutanenitrile.

Molecular Properties

Compound Name2-[hydroxy(quinolin-6-yl)methyl]-2-methylbutanenitrile
PubChem CID79133168
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name2-[hydroxy(quinolin-6-yl)methyl]-2-methylbutanenitrile
SMILESCCC(C)(C#N)C(O)c1ccc2ncccc2c1
InChIInChI=1S/C15H16N2O/c1-3-15(2,10-16)14(18)12-6-7-13-11(9-12)5-4-8-17-13/h4-9,14,18H,3H2,1-2H3
InChIKeyDDOIBPLNQMUWSS-UHFFFAOYSA-N
XLogP3.21
TPSA56.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-methyl-1-quinolin-6-ylpropan-1-ol
CID 66038103
2-propyl-1-quinolin-6-ylpentan-1-ol
CID 115826786
2-methyl-2-pyrrolidin-1-yl-1-quinolin-6-ylpropan-1-ol
CID 81219930
1-quinolin-6-ylbutane-1,2-diol
CID 103454747
2-[hydroxy(pyridin-2-yl)methyl]-2-methylbutanenitrile
CID 79137493
3-amino-3-methyl-1-quinolin-6-ylbutan-1-ol
CID 112753988
2-amino-2-quinolin-6-ylacetonitrile
CID 63968103
2-(diethylamino)-2-quinolin-6-ylacetonitrile
CID 63970802
2-(tert-butylamino)-1-quinolin-6-ylethanol
CID 81221991
(4-ethylphenyl)-quinolin-6-ylmethanol
CID 62876415
1-quinolin-6-ylbutan-1-amine
CID 63095616
1-quinolin-6-yldecan-1-amine
CID 63418413

Frequently Asked Questions

What is the IUPAC name of 2-[hydroxy(quinolin-6-yl)methyl]-2-methylbutanenitrile?
The IUPAC name of 2-[hydroxy(quinolin-6-yl)methyl]-2-methylbutanenitrile (CID 79133168) is 2-[hydroxy(quinolin-6-yl)methyl]-2-methylbutanenitrile.
What is the SMILES notation for 2-[hydroxy(quinolin-6-yl)methyl]-2-methylbutanenitrile?
The canonical SMILES for 2-[hydroxy(quinolin-6-yl)methyl]-2-methylbutanenitrile is CCC(C)(C#N)C(O)c1ccc2ncccc2c1.
What is the InChIKey of 2-[hydroxy(quinolin-6-yl)methyl]-2-methylbutanenitrile?
The InChIKey is DDOIBPLNQMUWSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c1-3-15(2,10-16)14(18)12-6-7-13-11(9-12)5-4-8-17-13/h4-9,14,18H,3H2,1-2H3.
What are the key properties of 2-[hydroxy(quinolin-6-yl)methyl]-2-methylbutanenitrile?
2-[hydroxy(quinolin-6-yl)methyl]-2-methylbutanenitrile has a molecular weight of 240.31 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[hydroxy(quinolin-6-yl)methyl]-2-methylbutanenitrile is sourced from PubChem (CID 79133168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).