4-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]quinoline-3-carbonitrile

C17H22N4 — CID 43668936

IUPAC4-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]quinoline-3-carbonitrile
SMILESCN(C)CC(C)(C)CNc1c(C#N)cnc2ccccc12
InChIInChI=1S/C17H22N4/c1-17(2,12-21(3)4)11-20-16-13(9-18)10-19-15-8-6-5-7-14(15)16/h5-8,10H,11-12H2,1-4H3,(H,19,20)
InChIKeyQMFOCUYPQYQWFA-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.11
Rot. Bonds5

About 4-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]quinoline-3-carbonitrile

4-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]quinoline-3-carbonitrile (PubChem CID 43668936) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is 4-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]quinoline-3-carbonitrile.

Molecular Properties

Compound Name4-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]quinoline-3-carbonitrile
PubChem CID43668936
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC Name4-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]quinoline-3-carbonitrile
SMILESCN(C)CC(C)(C)CNc1c(C#N)cnc2ccccc12
InChIInChI=1S/C17H22N4/c1-17(2,12-21(3)4)11-20-16-13(9-18)10-19-15-8-6-5-7-14(15)16/h5-8,10H,11-12H2,1-4H3,(H,19,20)
InChIKeyQMFOCUYPQYQWFA-UHFFFAOYSA-N
XLogP3.11
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]quinoline-3-carbonitrile?
The IUPAC name of 4-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]quinoline-3-carbonitrile (CID 43668936) is 4-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]quinoline-3-carbonitrile.
What is the SMILES notation for 4-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]quinoline-3-carbonitrile?
The canonical SMILES for 4-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]quinoline-3-carbonitrile is CN(C)CC(C)(C)CNc1c(C#N)cnc2ccccc12.
What is the InChIKey of 4-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]quinoline-3-carbonitrile?
The InChIKey is QMFOCUYPQYQWFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c1-17(2,12-21(3)4)11-20-16-13(9-18)10-19-15-8-6-5-7-14(15)16/h5-8,10H,11-12H2,1-4H3,(H,19,20).
What are the key properties of 4-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]quinoline-3-carbonitrile?
4-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]quinoline-3-carbonitrile has a molecular weight of 282.39 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]quinoline-3-carbonitrile is sourced from PubChem (CID 43668936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).