2-[2-(dimethylamino)-2-methylpropoxy]quinoline-4-carbonitrile

C16H19N3O — CID 79679288

IUPAC2-[2-(dimethylamino)-2-methylpropoxy]quinoline-4-carbonitrile
SMILESCN(C)C(C)(C)COc1cc(C#N)c2ccccc2n1
InChIInChI=1S/C16H19N3O/c1-16(2,19(3)4)11-20-15-9-12(10-17)13-7-5-6-8-14(13)18-15/h5-9H,11H2,1-4H3
InChIKeyLOSRLDUACNEKIF-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.83
Rot. Bonds4

About 2-[2-(dimethylamino)-2-methylpropoxy]quinoline-4-carbonitrile

2-[2-(dimethylamino)-2-methylpropoxy]quinoline-4-carbonitrile (PubChem CID 79679288) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 2-[2-(dimethylamino)-2-methylpropoxy]quinoline-4-carbonitrile.

Molecular Properties

Compound Name2-[2-(dimethylamino)-2-methylpropoxy]quinoline-4-carbonitrile
PubChem CID79679288
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name2-[2-(dimethylamino)-2-methylpropoxy]quinoline-4-carbonitrile
SMILESCN(C)C(C)(C)COc1cc(C#N)c2ccccc2n1
InChIInChI=1S/C16H19N3O/c1-16(2,19(3)4)11-20-15-9-12(10-17)13-7-5-6-8-14(13)18-15/h5-9H,11H2,1-4H3
InChIKeyLOSRLDUACNEKIF-UHFFFAOYSA-N
XLogP2.83
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)-2-methylpropoxy]quinoline-4-carbonitrile?
The IUPAC name of 2-[2-(dimethylamino)-2-methylpropoxy]quinoline-4-carbonitrile (CID 79679288) is 2-[2-(dimethylamino)-2-methylpropoxy]quinoline-4-carbonitrile.
What is the SMILES notation for 2-[2-(dimethylamino)-2-methylpropoxy]quinoline-4-carbonitrile?
The canonical SMILES for 2-[2-(dimethylamino)-2-methylpropoxy]quinoline-4-carbonitrile is CN(C)C(C)(C)COc1cc(C#N)c2ccccc2n1.
What is the InChIKey of 2-[2-(dimethylamino)-2-methylpropoxy]quinoline-4-carbonitrile?
The InChIKey is LOSRLDUACNEKIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-16(2,19(3)4)11-20-15-9-12(10-17)13-7-5-6-8-14(13)18-15/h5-9H,11H2,1-4H3.
What are the key properties of 2-[2-(dimethylamino)-2-methylpropoxy]quinoline-4-carbonitrile?
2-[2-(dimethylamino)-2-methylpropoxy]quinoline-4-carbonitrile has a molecular weight of 269.35 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)-2-methylpropoxy]quinoline-4-carbonitrile is sourced from PubChem (CID 79679288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).