2-(3-cyclopentylpropylamino)quinoline-4-carbonitrile

C18H21N3 — CID 106011499

IUPAC2-(3-cyclopentylpropylamino)quinoline-4-carbonitrile
SMILESN#Cc1cc(NCCCC2CCCC2)nc2ccccc12
InChIInChI=1S/C18H21N3/c19-13-15-12-18(21-17-10-4-3-9-16(15)17)20-11-5-8-14-6-1-2-7-14/h3-4,9-10,12,14H,1-2,5-8,11H2,(H,20,21)
InChIKeyHWWSUIPGXNLSIB-UHFFFAOYSA-N
MW279.39 g/mol
LogP4.49
Rot. Bonds5

About 2-(3-cyclopentylpropylamino)quinoline-4-carbonitrile

2-(3-cyclopentylpropylamino)quinoline-4-carbonitrile (PubChem CID 106011499) has the molecular formula C18H21N3 and a molecular weight of 279.39 g/mol. Its IUPAC name is 2-(3-cyclopentylpropylamino)quinoline-4-carbonitrile.

Molecular Properties

Compound Name2-(3-cyclopentylpropylamino)quinoline-4-carbonitrile
PubChem CID106011499
Molecular FormulaC18H21N3
Molecular Weight279.39 g/mol
Exact Mass279.17
IUPAC Name2-(3-cyclopentylpropylamino)quinoline-4-carbonitrile
SMILESN#Cc1cc(NCCCC2CCCC2)nc2ccccc12
InChIInChI=1S/C18H21N3/c19-13-15-12-18(21-17-10-4-3-9-16(15)17)20-11-5-8-14-6-1-2-7-14/h3-4,9-10,12,14H,1-2,5-8,11H2,(H,20,21)
InChIKeyHWWSUIPGXNLSIB-UHFFFAOYSA-N
XLogP4.49
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(3-cyclopentylpropylamino)quinoline-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-methylsulfinylpropylamino)quinoline-4-carbonitrile
CID 115637217
4-(3-cyclopentylpropylamino)naphthalene-1-carbonitrile
CID 106011557
2-[2-(trifluoromethylsulfanyl)ethylamino]quinoline-4-carbonitrile
CID 102809256
2-[2-(cyclopenten-1-yl)ethylamino]quinoline-4-carbonitrile
CID 103844235
2-[(2,2,3,3-tetramethylcyclopropyl)methylamino]quinoline-4-carbonitrile
CID 79361457
2-(2-morpholin-4-ylethylamino)quinoline-4-carbonitrile
CID 63885427
2-[[(1R,2R)-2-hydroxycyclopentyl]amino]quinoline-4-carbonitrile
CID 99857872
2-(2,3,3-trimethylbutylamino)quinoline-4-carbonitrile
CID 83142408
2-[2-(2-methoxyethylamino)ethylamino]quinoline-4-carbonitrile
CID 83030385
2-[(1-ethylpyrrolidin-2-yl)methylamino]quinoline-4-carbonitrile
CID 63885618
2-[[1-(hydroxymethyl)cyclopropyl]methylamino]quinoline-4-carbonitrile
CID 79479205
2-[(2-aminocyclopentyl)amino]quinoline-4-carbonitrile
CID 63886409

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopentylpropylamino)quinoline-4-carbonitrile?
The IUPAC name of 2-(3-cyclopentylpropylamino)quinoline-4-carbonitrile (CID 106011499) is 2-(3-cyclopentylpropylamino)quinoline-4-carbonitrile.
What is the SMILES notation for 2-(3-cyclopentylpropylamino)quinoline-4-carbonitrile?
The canonical SMILES for 2-(3-cyclopentylpropylamino)quinoline-4-carbonitrile is N#Cc1cc(NCCCC2CCCC2)nc2ccccc12.
What is the InChIKey of 2-(3-cyclopentylpropylamino)quinoline-4-carbonitrile?
The InChIKey is HWWSUIPGXNLSIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3/c19-13-15-12-18(21-17-10-4-3-9-16(15)17)20-11-5-8-14-6-1-2-7-14/h3-4,9-10,12,14H,1-2,5-8,11H2,(H,20,21).
What are the key properties of 2-(3-cyclopentylpropylamino)quinoline-4-carbonitrile?
2-(3-cyclopentylpropylamino)quinoline-4-carbonitrile has a molecular weight of 279.39 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopentylpropylamino)quinoline-4-carbonitrile is sourced from PubChem (CID 106011499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).