2-[methyl(3-methylbutyl)amino]quinoline-4-carbonitrile

C16H19N3 — CID 63885657

IUPAC2-[methyl(3-methylbutyl)amino]quinoline-4-carbonitrile
SMILESCC(C)CCN(C)c1cc(C#N)c2ccccc2n1
InChIInChI=1S/C16H19N3/c1-12(2)8-9-19(3)16-10-13(11-17)14-6-4-5-7-15(14)18-16/h4-7,10,12H,8-9H2,1-3H3
InChIKeyZCQGGNLGORFGQH-UHFFFAOYSA-N
MW253.35 g/mol
LogP3.59
Rot. Bonds4

About 2-[methyl(3-methylbutyl)amino]quinoline-4-carbonitrile

2-[methyl(3-methylbutyl)amino]quinoline-4-carbonitrile (PubChem CID 63885657) has the molecular formula C16H19N3 and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-[methyl(3-methylbutyl)amino]quinoline-4-carbonitrile.

Molecular Properties

Compound Name2-[methyl(3-methylbutyl)amino]quinoline-4-carbonitrile
PubChem CID63885657
Molecular FormulaC16H19N3
Molecular Weight253.35 g/mol
Exact Mass253.16
IUPAC Name2-[methyl(3-methylbutyl)amino]quinoline-4-carbonitrile
SMILESCC(C)CCN(C)c1cc(C#N)c2ccccc2n1
InChIInChI=1S/C16H19N3/c1-12(2)8-9-19(3)16-10-13(11-17)14-6-4-5-7-15(14)18-16/h4-7,10,12H,8-9H2,1-3H3
InChIKeyZCQGGNLGORFGQH-UHFFFAOYSA-N
XLogP3.59
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Quipazine
CID 5011
2-Aminoquinoline
CID 11379
4-Methyl-2-piperazin-1-yl-quinoline
CID 598754
4-Methyl-2-(1-piperidinyl)quinoline
CID 230710
2-Aminoquinoline-3-carbonitrile
CID 268505
N-Methylquipazine
CID 5013
6-(4-Methyl-piperazin-1-yl)-phenanthridine
CID 9993659
2-(4-Propyl-piperazin-1-yl)-quinoline
CID 11370427
3-Pyridinecarbonitrile, 4-(dimethylamino)-6-methyl-2-((phenylmethyl)amino)-
CID 660897
4-Methylquinolin-2-amine
CID 231935
N,N-dimethylquinolin-2-amine
CID 588801
2-[4-(1-Ethyl-propyl)-piperazin-1-yl]-quinoline
CID 11314275

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(3-methylbutyl)amino]quinoline-4-carbonitrile?
The IUPAC name of 2-[methyl(3-methylbutyl)amino]quinoline-4-carbonitrile (CID 63885657) is 2-[methyl(3-methylbutyl)amino]quinoline-4-carbonitrile.
What is the SMILES notation for 2-[methyl(3-methylbutyl)amino]quinoline-4-carbonitrile?
The canonical SMILES for 2-[methyl(3-methylbutyl)amino]quinoline-4-carbonitrile is CC(C)CCN(C)c1cc(C#N)c2ccccc2n1.
What is the InChIKey of 2-[methyl(3-methylbutyl)amino]quinoline-4-carbonitrile?
The InChIKey is ZCQGGNLGORFGQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3/c1-12(2)8-9-19(3)16-10-13(11-17)14-6-4-5-7-15(14)18-16/h4-7,10,12H,8-9H2,1-3H3.
What are the key properties of 2-[methyl(3-methylbutyl)amino]quinoline-4-carbonitrile?
2-[methyl(3-methylbutyl)amino]quinoline-4-carbonitrile has a molecular weight of 253.35 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(3-methylbutyl)amino]quinoline-4-carbonitrile is sourced from PubChem (CID 63885657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).