7-fluoro-N-(2-oxoethyl)quinoline-4-carboxamide;1-methylpyrrolidine-2-carbonitrile

C18H19FN4O2 — CID 165399848

IUPAC7-fluoro-N-(2-oxoethyl)quinoline-4-carboxamide;1-methylpyrrolidine-2-carbonitrile
SMILESCN1CCCC1C#N.O=CCNC(=O)c1ccnc2cc(F)ccc12
InChIInChI=1S/C12H9FN2O2.C6H10N2/c13-8-1-2-9-10(12(17)15-5-6-16)3-4-14-11(9)7-8;1-8-4-2-3-6(8)5-7/h1-4,6-7H,5H2,(H,15,17);6H,2-4H2,1H3
InChIKeyPGSJCVDFQIBUNV-UHFFFAOYSA-N
MW342.37 g/mol
LogP1.91
Rot. Bonds3

About 7-fluoro-N-(2-oxoethyl)quinoline-4-carboxamide;1-methylpyrrolidine-2-carbonitrile

7-fluoro-N-(2-oxoethyl)quinoline-4-carboxamide;1-methylpyrrolidine-2-carbonitrile (PubChem CID 165399848) has the molecular formula C18H19FN4O2 and a molecular weight of 342.37 g/mol. Its IUPAC name is 7-fluoro-N-(2-oxoethyl)quinoline-4-carboxamide;1-methylpyrrolidine-2-carbonitrile.

Molecular Properties

Compound Name7-fluoro-N-(2-oxoethyl)quinoline-4-carboxamide;1-methylpyrrolidine-2-carbonitrile
PubChem CID165399848
Molecular FormulaC18H19FN4O2
Molecular Weight342.37 g/mol
Exact Mass342.15
IUPAC Name7-fluoro-N-(2-oxoethyl)quinoline-4-carboxamide;1-methylpyrrolidine-2-carbonitrile
SMILESCN1CCCC1C#N.O=CCNC(=O)c1ccnc2cc(F)ccc12
InChIInChI=1S/C12H9FN2O2.C6H10N2/c13-8-1-2-9-10(12(17)15-5-6-16)3-4-14-11(9)7-8;1-8-4-2-3-6(8)5-7/h1-4,6-7H,5H2,(H,15,17);6H,2-4H2,1H3
InChIKeyPGSJCVDFQIBUNV-UHFFFAOYSA-N
XLogP1.91
TPSA86.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-oxoethyl)quinoline-4-carboxamide
CID 138723013
3-chloro-2-ethyl-N-(2-oxoethyl)pyridine-4-carboxamide;4,4-difluoro-1-methylpyrrolidine-2-carbonitrile;ethane
CID 165129636
7-anilino-N-(2-oxoethyl)quinoline-4-carboxamide
CID 138723428
7-fluoroquinoline-4-carboxylic acid
CID 18475507
N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-6-morpholin-4-ylquinoline-4-carboxamide
CID 170151832
N-[(2S)-1-[(2S)-2-cyanopyrrolidin-1-yl]-1-oxopropan-2-yl]quinoline-4-carboxamide
CID 90655538
7-methyl-N-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]quinoline-4-carboxamide
CID 165399906
N-[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]-6-(4,4-dimethylpiperidin-1-yl)quinoline-4-carboxamide
CID 164532771
1-(4-fluoro-2-methylbenzoyl)pyrrolidine-2-carbonitrile
CID 113399970
N-[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]-6-[(3S)-3-methoxypiperidin-1-yl]quinoline-4-carboxamide
CID 167118418
7-chloro-N-[2-[(1S,3S,5S)-3-cyano-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]quinoline-4-carboxamide
CID 170539787
N-[2-(4-cyano-1,3-thiazolidin-3-yl)-2-oxoethyl]-6-(1-fluorocyclobutyl)quinoline-4-carboxamide
CID 175960345

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N-(2-oxoethyl)quinoline-4-carboxamide;1-methylpyrrolidine-2-carbonitrile?
The IUPAC name of 7-fluoro-N-(2-oxoethyl)quinoline-4-carboxamide;1-methylpyrrolidine-2-carbonitrile (CID 165399848) is 7-fluoro-N-(2-oxoethyl)quinoline-4-carboxamide;1-methylpyrrolidine-2-carbonitrile.
What is the SMILES notation for 7-fluoro-N-(2-oxoethyl)quinoline-4-carboxamide;1-methylpyrrolidine-2-carbonitrile?
The canonical SMILES for 7-fluoro-N-(2-oxoethyl)quinoline-4-carboxamide;1-methylpyrrolidine-2-carbonitrile is CN1CCCC1C#N.O=CCNC(=O)c1ccnc2cc(F)ccc12.
What is the InChIKey of 7-fluoro-N-(2-oxoethyl)quinoline-4-carboxamide;1-methylpyrrolidine-2-carbonitrile?
The InChIKey is PGSJCVDFQIBUNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN2O2.C6H10N2/c13-8-1-2-9-10(12(17)15-5-6-16)3-4-14-11(9)7-8;1-8-4-2-3-6(8)5-7/h1-4,6-7H,5H2,(H,15,17);6H,2-4H2,1H3.
What are the key properties of 7-fluoro-N-(2-oxoethyl)quinoline-4-carboxamide;1-methylpyrrolidine-2-carbonitrile?
7-fluoro-N-(2-oxoethyl)quinoline-4-carboxamide;1-methylpyrrolidine-2-carbonitrile has a molecular weight of 342.37 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N-(2-oxoethyl)quinoline-4-carboxamide;1-methylpyrrolidine-2-carbonitrile is sourced from PubChem (CID 165399848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).