2-[butan-2-yl(methyl)amino]quinoline-4-carbonitrile

C15H17N3 — CID 63885462

IUPAC2-[butan-2-yl(methyl)amino]quinoline-4-carbonitrile
SMILESCCC(C)N(C)c1cc(C#N)c2ccccc2n1
InChIInChI=1S/C15H17N3/c1-4-11(2)18(3)15-9-12(10-16)13-7-5-6-8-14(13)17-15/h5-9,11H,4H2,1-3H3
InChIKeyMXDPBTHMUXJJGO-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.34
Rot. Bonds3

About 2-[butan-2-yl(methyl)amino]quinoline-4-carbonitrile

2-[butan-2-yl(methyl)amino]quinoline-4-carbonitrile (PubChem CID 63885462) has the molecular formula C15H17N3 and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-[butan-2-yl(methyl)amino]quinoline-4-carbonitrile.

Molecular Properties

Compound Name2-[butan-2-yl(methyl)amino]quinoline-4-carbonitrile
PubChem CID63885462
Molecular FormulaC15H17N3
Molecular Weight239.32 g/mol
Exact Mass239.14
IUPAC Name2-[butan-2-yl(methyl)amino]quinoline-4-carbonitrile
SMILESCCC(C)N(C)c1cc(C#N)c2ccccc2n1
InChIInChI=1S/C15H17N3/c1-4-11(2)18(3)15-9-12(10-16)13-7-5-6-8-14(13)17-15/h5-9,11H,4H2,1-3H3
InChIKeyMXDPBTHMUXJJGO-UHFFFAOYSA-N
XLogP3.34
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl(3-methylbutyl)amino]quinoline-4-carbonitrile
CID 63885657
2-[2-cyanopropyl(ethyl)amino]quinoline-4-carbonitrile
CID 63883864
3-[(4-cyanoquinolin-2-yl)-ethylamino]butanoic acid
CID 63886385
2-(N,2-dimethylanilino)quinoline-4-carbonitrile
CID 63884306
2-[cyclopropylmethyl(propan-2-yl)amino]quinoline-4-carbonitrile
CID 63885853
2-[(4-aminocyclohexyl)-methylamino]quinoline-4-carbonitrile
CID 79113317
2-(1-hydroxypropyl)quinoline-4-carbonitrile
CID 119091572
2-[methyl-[(2-methylcyclopropyl)methyl]amino]quinoline-4-carbonitrile
CID 63884111
2-(2-methylpropoxy)quinoline-4-carbonitrile
CID 57354646
methyl 3-[(4-cyanoquinolin-2-yl)-methylamino]propanoate
CID 63884090
1-(4-cyanoquinolin-2-yl)-3-(cyclopropylmethyl)-1-methylurea
CID 155950697
2-[methyl(thiolan-3-yl)amino]quinoline-4-carbonitrile
CID 63885847

Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl(methyl)amino]quinoline-4-carbonitrile?
The IUPAC name of 2-[butan-2-yl(methyl)amino]quinoline-4-carbonitrile (CID 63885462) is 2-[butan-2-yl(methyl)amino]quinoline-4-carbonitrile.
What is the SMILES notation for 2-[butan-2-yl(methyl)amino]quinoline-4-carbonitrile?
The canonical SMILES for 2-[butan-2-yl(methyl)amino]quinoline-4-carbonitrile is CCC(C)N(C)c1cc(C#N)c2ccccc2n1.
What is the InChIKey of 2-[butan-2-yl(methyl)amino]quinoline-4-carbonitrile?
The InChIKey is MXDPBTHMUXJJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3/c1-4-11(2)18(3)15-9-12(10-16)13-7-5-6-8-14(13)17-15/h5-9,11H,4H2,1-3H3.
What are the key properties of 2-[butan-2-yl(methyl)amino]quinoline-4-carbonitrile?
2-[butan-2-yl(methyl)amino]quinoline-4-carbonitrile has a molecular weight of 239.32 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yl(methyl)amino]quinoline-4-carbonitrile is sourced from PubChem (CID 63885462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).