4-[cyclopropylmethyl(methyl)amino]-6,8-dimethylquinoline-3-carbonitrile

C17H19N3 — CID 133319158

IUPAC4-[cyclopropylmethyl(methyl)amino]-6,8-dimethylquinoline-3-carbonitrile
SMILESCc1cc(C)c2ncc(C#N)c(N(C)CC3CC3)c2c1
InChIInChI=1S/C17H19N3/c1-11-6-12(2)16-15(7-11)17(14(8-18)9-19-16)20(3)10-13-4-5-13/h6-7,9,13H,4-5,10H2,1-3H3
InChIKeyVSNJSVKKHZKDSD-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.57
Rot. Bonds3

About 4-[cyclopropylmethyl(methyl)amino]-6,8-dimethylquinoline-3-carbonitrile

4-[cyclopropylmethyl(methyl)amino]-6,8-dimethylquinoline-3-carbonitrile (PubChem CID 133319158) has the molecular formula C17H19N3 and a molecular weight of 265.36 g/mol. Its IUPAC name is 4-[cyclopropylmethyl(methyl)amino]-6,8-dimethylquinoline-3-carbonitrile.

Molecular Properties

Compound Name4-[cyclopropylmethyl(methyl)amino]-6,8-dimethylquinoline-3-carbonitrile
PubChem CID133319158
Molecular FormulaC17H19N3
Molecular Weight265.36 g/mol
Exact Mass265.16
IUPAC Name4-[cyclopropylmethyl(methyl)amino]-6,8-dimethylquinoline-3-carbonitrile
SMILESCc1cc(C)c2ncc(C#N)c(N(C)CC3CC3)c2c1
InChIInChI=1S/C17H19N3/c1-11-6-12(2)16-15(7-11)17(14(8-18)9-19-16)20(3)10-13-4-5-13/h6-7,9,13H,4-5,10H2,1-3H3
InChIKeyVSNJSVKKHZKDSD-UHFFFAOYSA-N
XLogP3.57
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6,8-dimethyl-4-[methyl-[(1-methylimidazol-2-yl)methyl]amino]quinoline-3-carbonitrile
CID 133431926
4-[cyclobutylmethyl(methyl)amino]quinoline-3-carbonitrile
CID 62861012
2-[[3-[(3-cyano-6,8-dimethylquinolin-4-yl)amino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid
CID 122061380
4-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]-6,8-dimethylquinoline-3-carbonitrile
CID 133310643
6-chloro-4-(dimethylamino)-8-methylquinoline-3-carbonitrile
CID 82244214
4-[cyclopropylmethyl(methyl)amino]pyrimidine-5-carbonitrile
CID 126979906
6-fluoro-4-[4-(hydroxymethyl)piperidin-1-yl]-8-methylquinoline-3-carbonitrile
CID 133316889
4-[(3-cyano-6,8-dimethylquinolin-4-yl)amino]cyclohexane-1-carboxylic acid
CID 122060080
6,8-dimethyl-4-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]quinoline-3-carbonitrile
CID 133310578
6-(difluoromethoxy)-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]quinoline-3-carbonitrile
CID 133288080
4-(2-cyclopropylethylamino)-6-fluoro-8-methylquinoline-3-carbonitrile
CID 133324355
2-[1-(3-cyano-6-fluoro-8-methylquinolin-4-yl)piperidin-4-yl]acetamide
CID 133318098

Frequently Asked Questions

What is the IUPAC name of 4-[cyclopropylmethyl(methyl)amino]-6,8-dimethylquinoline-3-carbonitrile?
The IUPAC name of 4-[cyclopropylmethyl(methyl)amino]-6,8-dimethylquinoline-3-carbonitrile (CID 133319158) is 4-[cyclopropylmethyl(methyl)amino]-6,8-dimethylquinoline-3-carbonitrile.
What is the SMILES notation for 4-[cyclopropylmethyl(methyl)amino]-6,8-dimethylquinoline-3-carbonitrile?
The canonical SMILES for 4-[cyclopropylmethyl(methyl)amino]-6,8-dimethylquinoline-3-carbonitrile is Cc1cc(C)c2ncc(C#N)c(N(C)CC3CC3)c2c1.
What is the InChIKey of 4-[cyclopropylmethyl(methyl)amino]-6,8-dimethylquinoline-3-carbonitrile?
The InChIKey is VSNJSVKKHZKDSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3/c1-11-6-12(2)16-15(7-11)17(14(8-18)9-19-16)20(3)10-13-4-5-13/h6-7,9,13H,4-5,10H2,1-3H3.
What are the key properties of 4-[cyclopropylmethyl(methyl)amino]-6,8-dimethylquinoline-3-carbonitrile?
4-[cyclopropylmethyl(methyl)amino]-6,8-dimethylquinoline-3-carbonitrile has a molecular weight of 265.36 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopropylmethyl(methyl)amino]-6,8-dimethylquinoline-3-carbonitrile is sourced from PubChem (CID 133319158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).