2-[(1-ethylpyrrolidin-2-yl)methylamino]quinoline-4-carbonitrile

C17H20N4 — CID 63885618

IUPAC2-[(1-ethylpyrrolidin-2-yl)methylamino]quinoline-4-carbonitrile
SMILESCCN1CCCC1CNc1cc(C#N)c2ccccc2n1
InChIInChI=1S/C17H20N4/c1-2-21-9-5-6-14(21)12-19-17-10-13(11-18)15-7-3-4-8-16(15)20-17/h3-4,7-8,10,14H,2,5-6,9,12H2,1H3,(H,19,20)
InChIKeyGXHTXIZHIIIYGF-UHFFFAOYSA-N
MW280.38 g/mol
LogP3.00
Rot. Bonds4

About 2-[(1-ethylpyrrolidin-2-yl)methylamino]quinoline-4-carbonitrile

2-[(1-ethylpyrrolidin-2-yl)methylamino]quinoline-4-carbonitrile (PubChem CID 63885618) has the molecular formula C17H20N4 and a molecular weight of 280.38 g/mol. Its IUPAC name is 2-[(1-ethylpyrrolidin-2-yl)methylamino]quinoline-4-carbonitrile.

Molecular Properties

Compound Name2-[(1-ethylpyrrolidin-2-yl)methylamino]quinoline-4-carbonitrile
PubChem CID63885618
Molecular FormulaC17H20N4
Molecular Weight280.38 g/mol
Exact Mass280.17
IUPAC Name2-[(1-ethylpyrrolidin-2-yl)methylamino]quinoline-4-carbonitrile
SMILESCCN1CCCC1CNc1cc(C#N)c2ccccc2n1
InChIInChI=1S/C17H20N4/c1-2-21-9-5-6-14(21)12-19-17-10-13(11-18)15-7-3-4-8-16(15)20-17/h3-4,7-8,10,14H,2,5-6,9,12H2,1H3,(H,19,20)
InChIKeyGXHTXIZHIIIYGF-UHFFFAOYSA-N
XLogP3.00
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-6-[(1-ethylpyrrolidin-2-yl)methylamino]pyridine-4-carbonitrile
CID 83074714
2-[(2,2,3,3-tetramethylcyclopropyl)methylamino]quinoline-4-carbonitrile
CID 79361457
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methyl-6-phenylpyrimidin-4-amine
CID 143955101
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(4-methylphenyl)quinolin-4-amine
CID 11100047
2-[[(2S)-2-(4-ethylpiperazin-1-yl)propyl]amino]quinoline-4-carbonitrile
CID 96528544
2-[(1-ethylpyrrolidin-2-yl)methylamino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 60707226
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(4-methoxyphenyl)quinazolin-4-amine
CID 20963130
2-(3-cyclopentylpropylamino)quinoline-4-carbonitrile
CID 106011499
2-N-[(1-ethylpyrrolidin-2-yl)methyl]quinoline-2,6-diamine
CID 43450881
2-[(1-ethylpyrrolidin-2-yl)methylamino]-5-fluorobenzonitrile
CID 63673607
2-chloro-4-[(1-ethylpyrrolidin-2-yl)methylamino]benzonitrile
CID 62946348
2-[(1-ethylcyclopropyl)methylamino]quinoline-4-carbonitrile
CID 103736838

Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethylpyrrolidin-2-yl)methylamino]quinoline-4-carbonitrile?
The IUPAC name of 2-[(1-ethylpyrrolidin-2-yl)methylamino]quinoline-4-carbonitrile (CID 63885618) is 2-[(1-ethylpyrrolidin-2-yl)methylamino]quinoline-4-carbonitrile.
What is the SMILES notation for 2-[(1-ethylpyrrolidin-2-yl)methylamino]quinoline-4-carbonitrile?
The canonical SMILES for 2-[(1-ethylpyrrolidin-2-yl)methylamino]quinoline-4-carbonitrile is CCN1CCCC1CNc1cc(C#N)c2ccccc2n1.
What is the InChIKey of 2-[(1-ethylpyrrolidin-2-yl)methylamino]quinoline-4-carbonitrile?
The InChIKey is GXHTXIZHIIIYGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4/c1-2-21-9-5-6-14(21)12-19-17-10-13(11-18)15-7-3-4-8-16(15)20-17/h3-4,7-8,10,14H,2,5-6,9,12H2,1H3,(H,19,20).
What are the key properties of 2-[(1-ethylpyrrolidin-2-yl)methylamino]quinoline-4-carbonitrile?
2-[(1-ethylpyrrolidin-2-yl)methylamino]quinoline-4-carbonitrile has a molecular weight of 280.38 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethylpyrrolidin-2-yl)methylamino]quinoline-4-carbonitrile is sourced from PubChem (CID 63885618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).