4-[2-(dimethylamino)ethyl-methylamino]quinoline-3-carbonitrile

C15H18N4 — CID 63693524

IUPAC4-[2-(dimethylamino)ethyl-methylamino]quinoline-3-carbonitrile
SMILESCN(C)CCN(C)c1c(C#N)cnc2ccccc12
InChIInChI=1S/C15H18N4/c1-18(2)8-9-19(3)15-12(10-16)11-17-14-7-5-4-6-13(14)15/h4-7,11H,8-9H2,1-3H3
InChIKeyNYHAZUPZMCFOIR-UHFFFAOYSA-N
MW254.34 g/mol
LogP2.10
Rot. Bonds4

About 4-[2-(dimethylamino)ethyl-methylamino]quinoline-3-carbonitrile

4-[2-(dimethylamino)ethyl-methylamino]quinoline-3-carbonitrile (PubChem CID 63693524) has the molecular formula C15H18N4 and a molecular weight of 254.34 g/mol. Its IUPAC name is 4-[2-(dimethylamino)ethyl-methylamino]quinoline-3-carbonitrile.

Molecular Properties

Compound Name4-[2-(dimethylamino)ethyl-methylamino]quinoline-3-carbonitrile
PubChem CID63693524
Molecular FormulaC15H18N4
Molecular Weight254.34 g/mol
Exact Mass254.15
IUPAC Name4-[2-(dimethylamino)ethyl-methylamino]quinoline-3-carbonitrile
SMILESCN(C)CCN(C)c1c(C#N)cnc2ccccc12
InChIInChI=1S/C15H18N4/c1-18(2)8-9-19(3)15-12(10-16)11-17-14-7-5-4-6-13(14)15/h4-7,11H,8-9H2,1-3H3
InChIKeyNYHAZUPZMCFOIR-UHFFFAOYSA-N
XLogP2.10
TPSA43.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[cyclobutylmethyl(methyl)amino]quinoline-3-carbonitrile
CID 62861012
3-[(3-aminoquinolin-4-yl)-methylamino]propanenitrile
CID 103962717
4-[2-(dimethylamino)ethyl-methylamino]-N'-hydroxyquinoline-3-carboximidamide
CID 77017337
4-[azetidin-3-yl(ethyl)amino]quinoline-3-carbonitrile
CID 66184340
2-[(3-cyanoquinolin-4-yl)-ethylamino]acetic acid
CID 55028864
4-[methyl-(3-methylcyclohexyl)amino]quinoline-3-carbonitrile
CID 61446942
4-[(3-amino-2,2-dimethylpropyl)-ethylamino]quinoline-3-carbonitrile
CID 79665670
4-[2-(diethylamino)ethoxy]quinoline-3-carbonitrile
CID 61103055
4-(methylamino)quinoline-3-carbonitrile
CID 43668892
4-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]quinoline-3-carbonitrile
CID 43668936
2-[2-(dimethylamino)ethyl-methylamino]benzonitrile
CID 55247342
2-[(3-cyanoquinolin-4-yl)amino]-N,N-dimethylacetamide
CID 43668990

Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylamino)ethyl-methylamino]quinoline-3-carbonitrile?
The IUPAC name of 4-[2-(dimethylamino)ethyl-methylamino]quinoline-3-carbonitrile (CID 63693524) is 4-[2-(dimethylamino)ethyl-methylamino]quinoline-3-carbonitrile.
What is the SMILES notation for 4-[2-(dimethylamino)ethyl-methylamino]quinoline-3-carbonitrile?
The canonical SMILES for 4-[2-(dimethylamino)ethyl-methylamino]quinoline-3-carbonitrile is CN(C)CCN(C)c1c(C#N)cnc2ccccc12.
What is the InChIKey of 4-[2-(dimethylamino)ethyl-methylamino]quinoline-3-carbonitrile?
The InChIKey is NYHAZUPZMCFOIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4/c1-18(2)8-9-19(3)15-12(10-16)11-17-14-7-5-4-6-13(14)15/h4-7,11H,8-9H2,1-3H3.
What are the key properties of 4-[2-(dimethylamino)ethyl-methylamino]quinoline-3-carbonitrile?
4-[2-(dimethylamino)ethyl-methylamino]quinoline-3-carbonitrile has a molecular weight of 254.34 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)ethyl-methylamino]quinoline-3-carbonitrile is sourced from PubChem (CID 63693524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).