2-[2-(cyclopenten-1-yl)ethylamino]quinoline-4-carbonitrile

C17H17N3 — CID 103844235

IUPAC2-[2-(cyclopenten-1-yl)ethylamino]quinoline-4-carbonitrile
SMILESN#Cc1cc(NCCC2=CCCC2)nc2ccccc12
InChIInChI=1S/C17H17N3/c18-12-14-11-17(19-10-9-13-5-1-2-6-13)20-16-8-4-3-7-15(14)16/h3-5,7-8,11H,1-2,6,9-10H2,(H,19,20)
InChIKeyNCZKHLJYFLPOPM-UHFFFAOYSA-N
MW263.34 g/mol
LogP4.02
Rot. Bonds4

About 2-[2-(cyclopenten-1-yl)ethylamino]quinoline-4-carbonitrile

2-[2-(cyclopenten-1-yl)ethylamino]quinoline-4-carbonitrile (PubChem CID 103844235) has the molecular formula C17H17N3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-[2-(cyclopenten-1-yl)ethylamino]quinoline-4-carbonitrile.

Molecular Properties

Compound Name2-[2-(cyclopenten-1-yl)ethylamino]quinoline-4-carbonitrile
PubChem CID103844235
Molecular FormulaC17H17N3
Molecular Weight263.34 g/mol
Exact Mass263.14
IUPAC Name2-[2-(cyclopenten-1-yl)ethylamino]quinoline-4-carbonitrile
SMILESN#Cc1cc(NCCC2=CCCC2)nc2ccccc12
InChIInChI=1S/C17H17N3/c18-12-14-11-17(19-10-9-13-5-1-2-6-13)20-16-8-4-3-7-15(14)16/h3-5,7-8,11H,1-2,6,9-10H2,(H,19,20)
InChIKeyNCZKHLJYFLPOPM-UHFFFAOYSA-N
XLogP4.02
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(3-cyclopentylpropylamino)quinoline-4-carbonitrile
CID 106011499
2-[2-(1-methylpyrazol-3-yl)ethylamino]quinoline-4-carbonitrile
CID 104626534
2-(2-morpholin-4-ylethylamino)quinoline-4-carbonitrile
CID 63885427
2-[2-(cyclopenten-1-yl)ethylamino]-6-methylpyridine-4-carbonitrile
CID 106173577
N-[2-(cyclohexen-1-yl)ethyl]quinolin-2-amine
CID 23799237
2-chloro-N-[2-(cyclopenten-1-yl)ethyl]quinazolin-4-amine
CID 114156958
2-[2-(trifluoromethylsulfanyl)ethylamino]quinoline-4-carbonitrile
CID 102809256
2-(3-methylsulfinylpropylamino)quinoline-4-carbonitrile
CID 115637217
2-[[6-[2-(cyclohexen-1-yl)ethylamino]pyrimidin-4-yl]amino]benzonitrile
CID 112856641
2-[[1-(hydroxymethyl)cyclopropyl]methylamino]quinoline-4-carbonitrile
CID 79479205
2-[(1-ethylcyclopropyl)methylamino]quinoline-4-carbonitrile
CID 103736838
6-[2-(cyclopenten-1-yl)ethylamino]-3-nitropyridine-2-carbonitrile
CID 103578069

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclopenten-1-yl)ethylamino]quinoline-4-carbonitrile?
The IUPAC name of 2-[2-(cyclopenten-1-yl)ethylamino]quinoline-4-carbonitrile (CID 103844235) is 2-[2-(cyclopenten-1-yl)ethylamino]quinoline-4-carbonitrile.
What is the SMILES notation for 2-[2-(cyclopenten-1-yl)ethylamino]quinoline-4-carbonitrile?
The canonical SMILES for 2-[2-(cyclopenten-1-yl)ethylamino]quinoline-4-carbonitrile is N#Cc1cc(NCCC2=CCCC2)nc2ccccc12.
What is the InChIKey of 2-[2-(cyclopenten-1-yl)ethylamino]quinoline-4-carbonitrile?
The InChIKey is NCZKHLJYFLPOPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3/c18-12-14-11-17(19-10-9-13-5-1-2-6-13)20-16-8-4-3-7-15(14)16/h3-5,7-8,11H,1-2,6,9-10H2,(H,19,20).
What are the key properties of 2-[2-(cyclopenten-1-yl)ethylamino]quinoline-4-carbonitrile?
2-[2-(cyclopenten-1-yl)ethylamino]quinoline-4-carbonitrile has a molecular weight of 263.34 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclopenten-1-yl)ethylamino]quinoline-4-carbonitrile is sourced from PubChem (CID 103844235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).