2-[6-(2-hydroxypropan-2-yl)quinolin-2-yl]benzonitrile

C19H16N2O — CID 156683085

IUPAC2-[6-(2-hydroxypropan-2-yl)quinolin-2-yl]benzonitrile
SMILESCC(C)(O)c1ccc2nc(-c3ccccc3C#N)ccc2c1
InChIInChI=1S/C19H16N2O/c1-19(2,22)15-8-10-17-13(11-15)7-9-18(21-17)16-6-4-3-5-14(16)12-20/h3-11,22H,1-2H3
InChIKeyBVJMMZVLMGPZOB-UHFFFAOYSA-N
MW288.35 g/mol
LogP4.00
Rot. Bonds2

About 2-[6-(2-hydroxypropan-2-yl)quinolin-2-yl]benzonitrile

2-[6-(2-hydroxypropan-2-yl)quinolin-2-yl]benzonitrile (PubChem CID 156683085) has the molecular formula C19H16N2O and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-[6-(2-hydroxypropan-2-yl)quinolin-2-yl]benzonitrile.

Molecular Properties

Compound Name2-[6-(2-hydroxypropan-2-yl)quinolin-2-yl]benzonitrile
PubChem CID156683085
Molecular FormulaC19H16N2O
Molecular Weight288.35 g/mol
Exact Mass288.13
IUPAC Name2-[6-(2-hydroxypropan-2-yl)quinolin-2-yl]benzonitrile
SMILESCC(C)(O)c1ccc2nc(-c3ccccc3C#N)ccc2c1
InChIInChI=1S/C19H16N2O/c1-19(2,22)15-8-10-17-13(11-15)7-9-18(21-17)16-6-4-3-5-14(16)12-20/h3-11,22H,1-2H3
InChIKeyBVJMMZVLMGPZOB-UHFFFAOYSA-N
XLogP4.00
TPSA56.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[5-(2-hydroxypropan-2-yl)benzimidazol-1-yl]-2-pyridinyl]benzonitrile
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CID 164550082
2-[6-[2,3-bis(2-cyanophenyl)quinoxalin-6-yl]-3-(2-cyanophenyl)quinoxalin-2-yl]benzonitrile
CID 70667457
methyl 2-cyano-2-(2-phenylquinolin-6-yl)propanoate
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2-(2-hydroxypropan-2-yl)benzonitrile
CID 67754511
2-(2-phenylpyrimidin-4-yl)benzonitrile
CID 21476415
2-chloro-6-(2-ethylphenyl)pyridine-3-carbonitrile
CID 84703537
2-(2-methylsulfanylphenyl)benzonitrile
CID 56776794
2-[2-[5-[4-(2-cyanophenyl)-6-phenylpyrimidin-2-yl]naphthalen-1-yl]-6-phenylpyrimidin-4-yl]benzonitrile
CID 122448036
2-(2-fluorophenyl)-6-methylquinoline
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3-[(3-cyanoquinolin-2-yl)amino]-2,2-dimethylpropanamide
CID 103736415
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CID 170251498

Frequently Asked Questions

What is the IUPAC name of 2-[6-(2-hydroxypropan-2-yl)quinolin-2-yl]benzonitrile?
The IUPAC name of 2-[6-(2-hydroxypropan-2-yl)quinolin-2-yl]benzonitrile (CID 156683085) is 2-[6-(2-hydroxypropan-2-yl)quinolin-2-yl]benzonitrile.
What is the SMILES notation for 2-[6-(2-hydroxypropan-2-yl)quinolin-2-yl]benzonitrile?
The canonical SMILES for 2-[6-(2-hydroxypropan-2-yl)quinolin-2-yl]benzonitrile is CC(C)(O)c1ccc2nc(-c3ccccc3C#N)ccc2c1.
What is the InChIKey of 2-[6-(2-hydroxypropan-2-yl)quinolin-2-yl]benzonitrile?
The InChIKey is BVJMMZVLMGPZOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O/c1-19(2,22)15-8-10-17-13(11-15)7-9-18(21-17)16-6-4-3-5-14(16)12-20/h3-11,22H,1-2H3.
What are the key properties of 2-[6-(2-hydroxypropan-2-yl)quinolin-2-yl]benzonitrile?
2-[6-(2-hydroxypropan-2-yl)quinolin-2-yl]benzonitrile has a molecular weight of 288.35 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2-hydroxypropan-2-yl)quinolin-2-yl]benzonitrile is sourced from PubChem (CID 156683085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).