2-(2-methylpropoxy)quinoline-4-carbonitrile

C14H14N2O — CID 57354646

IUPAC2-(2-methylpropoxy)quinoline-4-carbonitrile
SMILESCC(C)COc1cc(C#N)c2ccccc2n1
InChIInChI=1S/C14H14N2O/c1-10(2)9-17-14-7-11(8-15)12-5-3-4-6-13(12)16-14/h3-7,10H,9H2,1-2H3
InChIKeyRWAJGYWNYSGKPM-UHFFFAOYSA-N
MW226.28 g/mol
LogP3.14
Rot. Bonds3

About 2-(2-methylpropoxy)quinoline-4-carbonitrile

2-(2-methylpropoxy)quinoline-4-carbonitrile (PubChem CID 57354646) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is 2-(2-methylpropoxy)quinoline-4-carbonitrile.

Molecular Properties

Compound Name2-(2-methylpropoxy)quinoline-4-carbonitrile
PubChem CID57354646
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC Name2-(2-methylpropoxy)quinoline-4-carbonitrile
SMILESCC(C)COc1cc(C#N)c2ccccc2n1
InChIInChI=1S/C14H14N2O/c1-10(2)9-17-14-7-11(8-15)12-5-3-4-6-13(12)16-14/h3-7,10H,9H2,1-2H3
InChIKeyRWAJGYWNYSGKPM-UHFFFAOYSA-N
XLogP3.14
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-octoxyquinoline-4-carbonitrile
CID 63885669
2-[2-(dimethylamino)-2-methylpropoxy]quinoline-4-carbonitrile
CID 79679288
2-[(2-chlorophenyl)methoxy]quinoline-4-carbonitrile
CID 63885664
2-[methyl(3-methylbutyl)amino]quinoline-4-carbonitrile
CID 63885657
2-(2-methylpropoxy)quinoline-4-carbothioamide
CID 63886476
2-[butan-2-yl(methyl)amino]quinoline-4-carbonitrile
CID 63885462
2-(4-methylpentan-2-ylamino)quinoline-4-carbonitrile
CID 63884068
2-(4-methylcyclohexyl)oxyquinoline-4-carbonitrile
CID 63886439
2-(piperidin-3-ylmethoxy)quinoline-4-carbonitrile
CID 63886031
2-(3,5-dimethylcyclohexyl)oxyquinoline-4-carbonitrile
CID 64731054
2-[(1-amino-2,4-dimethylpentan-2-yl)amino]quinoline-4-carbonitrile
CID 115310050
2-[2-cyanopropyl(ethyl)amino]quinoline-4-carbonitrile
CID 63883864

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropoxy)quinoline-4-carbonitrile?
The IUPAC name of 2-(2-methylpropoxy)quinoline-4-carbonitrile (CID 57354646) is 2-(2-methylpropoxy)quinoline-4-carbonitrile.
What is the SMILES notation for 2-(2-methylpropoxy)quinoline-4-carbonitrile?
The canonical SMILES for 2-(2-methylpropoxy)quinoline-4-carbonitrile is CC(C)COc1cc(C#N)c2ccccc2n1.
What is the InChIKey of 2-(2-methylpropoxy)quinoline-4-carbonitrile?
The InChIKey is RWAJGYWNYSGKPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O/c1-10(2)9-17-14-7-11(8-15)12-5-3-4-6-13(12)16-14/h3-7,10H,9H2,1-2H3.
What are the key properties of 2-(2-methylpropoxy)quinoline-4-carbonitrile?
2-(2-methylpropoxy)quinoline-4-carbonitrile has a molecular weight of 226.28 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropoxy)quinoline-4-carbonitrile is sourced from PubChem (CID 57354646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).