5-(3-formylpyrrolidin-1-yl)quinoline-8-carbonitrile

C15H13N3O — CID 146440660

IUPAC5-(3-formylpyrrolidin-1-yl)quinoline-8-carbonitrile
SMILESN#Cc1ccc(N2CCC(C=O)C2)c2cccnc12
InChIInChI=1S/C15H13N3O/c16-8-12-3-4-14(13-2-1-6-17-15(12)13)18-7-5-11(9-18)10-19/h1-4,6,10-11H,5,7,9H2
InChIKeyWETNPJLLLUWEFE-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.13
Rot. Bonds2

About 5-(3-formylpyrrolidin-1-yl)quinoline-8-carbonitrile

5-(3-formylpyrrolidin-1-yl)quinoline-8-carbonitrile (PubChem CID 146440660) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is 5-(3-formylpyrrolidin-1-yl)quinoline-8-carbonitrile.

Molecular Properties

Compound Name5-(3-formylpyrrolidin-1-yl)quinoline-8-carbonitrile
PubChem CID146440660
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC Name5-(3-formylpyrrolidin-1-yl)quinoline-8-carbonitrile
SMILESN#Cc1ccc(N2CCC(C=O)C2)c2cccnc12
InChIInChI=1S/C15H13N3O/c16-8-12-3-4-14(13-2-1-6-17-15(12)13)18-7-5-11(9-18)10-19/h1-4,6,10-11H,5,7,9H2
InChIKeyWETNPJLLLUWEFE-UHFFFAOYSA-N
XLogP2.13
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[3-(trifluoromethyl)piperidin-1-yl]quinoline-8-carbonitrile
CID 164852052
(4R,9aR)-2-(8-cyanoquinolin-5-yl)-4-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-8-carboxylic acid
CID 155192440
5-[(3S,5R)-3-methyl-5-(methylamino)piperidin-1-yl]quinoline-8-carbonitrile
CID 121411610
5-[(2R,6R)-2-(1-hydroxypropyl)-6-methylmorpholin-4-yl]quinoline-8-carbonitrile
CID 118007097
5-[(2R,6R)-2-[(3S)-3-aminopyrrolidine-1-carbonyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile
CID 118007214
5-[(2R,6R)-2-(4-aminopiperidine-1-carbonyl)-6-methylmorpholin-4-yl]quinoline-8-carbonitrile
CID 118007391
5-[(2R,6R)-2-methyl-6-(piperazine-1-carbonyl)morpholin-4-yl]quinoline-8-carbonitrile
CID 118006873
1-(8-cyanoquinolin-5-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-4-carboxamide
CID 129266493
5-[(4R,9aS)-4-methyl-1,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazin-2-yl]quinoline-8-carbonitrile
CID 155192423
5-[(2R,6R)-2-methyl-6-propanoylmorpholin-4-yl]quinoline-8-carbonitrile
CID 118006562
5-[(2S,6S)-2-(hydroxymethyl)-6-methylmorpholin-4-yl]quinoline-8-carbonitrile
CID 118006633
5-[(3R,5R)-3-amino-5-(trifluoromethyl)piperidin-1-yl]quinoline-8-carbonitrile;hydrochloride
CID 169078024

Frequently Asked Questions

What is the IUPAC name of 5-(3-formylpyrrolidin-1-yl)quinoline-8-carbonitrile?
The IUPAC name of 5-(3-formylpyrrolidin-1-yl)quinoline-8-carbonitrile (CID 146440660) is 5-(3-formylpyrrolidin-1-yl)quinoline-8-carbonitrile.
What is the SMILES notation for 5-(3-formylpyrrolidin-1-yl)quinoline-8-carbonitrile?
The canonical SMILES for 5-(3-formylpyrrolidin-1-yl)quinoline-8-carbonitrile is N#Cc1ccc(N2CCC(C=O)C2)c2cccnc12.
What is the InChIKey of 5-(3-formylpyrrolidin-1-yl)quinoline-8-carbonitrile?
The InChIKey is WETNPJLLLUWEFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O/c16-8-12-3-4-14(13-2-1-6-17-15(12)13)18-7-5-11(9-18)10-19/h1-4,6,10-11H,5,7,9H2.
What are the key properties of 5-(3-formylpyrrolidin-1-yl)quinoline-8-carbonitrile?
5-(3-formylpyrrolidin-1-yl)quinoline-8-carbonitrile has a molecular weight of 251.29 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-formylpyrrolidin-1-yl)quinoline-8-carbonitrile is sourced from PubChem (CID 146440660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).