N-(3-pyrrolidin-1-ylpropyl)quinoline-2-carboxamide

C17H21N3O — CID 51110395

IUPACN-(3-pyrrolidin-1-ylpropyl)quinoline-2-carboxamide
SMILESO=C(NCCCN1CCCC1)c1ccc2ccccc2n1
InChIInChI=1S/C17H21N3O/c21-17(18-10-5-13-20-11-3-4-12-20)16-9-8-14-6-1-2-7-15(14)19-16/h1-2,6-9H,3-5,10-13H2,(H,18,21)
InChIKeyYMCFUXAIVFPIEK-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.45
Rot. Bonds5

About N-(3-pyrrolidin-1-ylpropyl)quinoline-2-carboxamide

N-(3-pyrrolidin-1-ylpropyl)quinoline-2-carboxamide (PubChem CID 51110395) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is N-(3-pyrrolidin-1-ylpropyl)quinoline-2-carboxamide.

Molecular Properties

Compound NameN-(3-pyrrolidin-1-ylpropyl)quinoline-2-carboxamide
PubChem CID51110395
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC NameN-(3-pyrrolidin-1-ylpropyl)quinoline-2-carboxamide
SMILESO=C(NCCCN1CCCC1)c1ccc2ccccc2n1
InChIInChI=1S/C17H21N3O/c21-17(18-10-5-13-20-11-3-4-12-20)16-9-8-14-6-1-2-7-15(14)19-16/h1-2,6-9H,3-5,10-13H2,(H,18,21)
InChIKeyYMCFUXAIVFPIEK-UHFFFAOYSA-N
XLogP2.45
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(4-methylpiperazin-1-yl)propyl]quinoline-2-carboxamide
CID 51073449
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]quinoline-2-carboxamide
CID 37094959
N-[3-(quinoline-2-carbonylamino)propyl]quinoline-2-carboxamide
CID 11603405
N-[6-(quinoline-2-carbonylamino)hexyl]quinoline-2-carboxamide
CID 139197064
N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]quinoline-2-carboxamide
CID 9472411
4-chloro-N-(3-piperidin-1-ylpropyl)quinoline-2-carboxamide
CID 139188850
methane;N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]quinoline-2-carboxamide
CID 161383648
N-[5-[5-(quinoline-2-carbonylamino)pentyldisulfanyl]pentyl]quinoline-2-carboxamide
CID 56642778
6-(ethylamino)-N-(3-pyrrolidin-1-ylpropyl)pyridine-2-carboxamide
CID 62990248
N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)quinoline-2-carboxamide
CID 90556263
N-piperidin-1-ylquinoline-2-carboxamide
CID 9270998
6-(methylamino)-N-(3-pyrrolidin-1-ylpropyl)pyridazine-3-carboxamide
CID 62989713

Frequently Asked Questions

What is the IUPAC name of N-(3-pyrrolidin-1-ylpropyl)quinoline-2-carboxamide?
The IUPAC name of N-(3-pyrrolidin-1-ylpropyl)quinoline-2-carboxamide (CID 51110395) is N-(3-pyrrolidin-1-ylpropyl)quinoline-2-carboxamide.
What is the SMILES notation for N-(3-pyrrolidin-1-ylpropyl)quinoline-2-carboxamide?
The canonical SMILES for N-(3-pyrrolidin-1-ylpropyl)quinoline-2-carboxamide is O=C(NCCCN1CCCC1)c1ccc2ccccc2n1.
What is the InChIKey of N-(3-pyrrolidin-1-ylpropyl)quinoline-2-carboxamide?
The InChIKey is YMCFUXAIVFPIEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c21-17(18-10-5-13-20-11-3-4-12-20)16-9-8-14-6-1-2-7-15(14)19-16/h1-2,6-9H,3-5,10-13H2,(H,18,21).
What are the key properties of N-(3-pyrrolidin-1-ylpropyl)quinoline-2-carboxamide?
N-(3-pyrrolidin-1-ylpropyl)quinoline-2-carboxamide has a molecular weight of 283.38 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-pyrrolidin-1-ylpropyl)quinoline-2-carboxamide is sourced from PubChem (CID 51110395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).