N-[2-(2-cyano-4-fluoropyrrolidin-1-yl)-2-oxoethyl]quinoline-4-carboxamide

C17H15FN4O2 — CID 148820534

IUPACN-[2-(2-cyano-4-fluoropyrrolidin-1-yl)-2-oxoethyl]quinoline-4-carboxamide
SMILESN#CC1CC(F)CN1C(=O)CNC(=O)c1ccnc2ccccc12
InChIInChI=1S/C17H15FN4O2/c18-11-7-12(8-19)22(10-11)16(23)9-21-17(24)14-5-6-20-15-4-2-1-3-13(14)15/h1-6,11-12H,7,9-10H2,(H,21,24)
InChIKeyORRRPUSEMSKTEW-UHFFFAOYSA-N
MW326.33 g/mol
LogP1.43
Rot. Bonds3

About N-[2-(2-cyano-4-fluoropyrrolidin-1-yl)-2-oxoethyl]quinoline-4-carboxamide

N-[2-(2-cyano-4-fluoropyrrolidin-1-yl)-2-oxoethyl]quinoline-4-carboxamide (PubChem CID 148820534) has the molecular formula C17H15FN4O2 and a molecular weight of 326.33 g/mol. Its IUPAC name is N-[2-(2-cyano-4-fluoropyrrolidin-1-yl)-2-oxoethyl]quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-cyano-4-fluoropyrrolidin-1-yl)-2-oxoethyl]quinoline-4-carboxamide
PubChem CID148820534
Molecular FormulaC17H15FN4O2
Molecular Weight326.33 g/mol
Exact Mass326.12
IUPAC NameN-[2-(2-cyano-4-fluoropyrrolidin-1-yl)-2-oxoethyl]quinoline-4-carboxamide
SMILESN#CC1CC(F)CN1C(=O)CNC(=O)c1ccnc2ccccc12
InChIInChI=1S/C17H15FN4O2/c18-11-7-12(8-19)22(10-11)16(23)9-21-17(24)14-5-6-20-15-4-2-1-3-13(14)15/h1-6,11-12H,7,9-10H2,(H,21,24)
InChIKeyORRRPUSEMSKTEW-UHFFFAOYSA-N
XLogP1.43
TPSA86.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.33
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(2S)-2-(2-chloroacetyl)pyrrolidin-1-yl]-2-oxoethyl]quinoline-4-carboxamide
CID 90655562
N-[2-[4,4-difluoro-2-(2-methylpropanoyl)pyrrolidin-1-yl]-2-oxoethyl]quinoline-4-carboxamide
CID 170712594
N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-6-(2-pyridin-2-ylethenyl)quinoline-4-carboxamide
CID 151377138
4-fluoro-1-[2-[(4-phenylcyclohexyl)amino]acetyl]pyrrolidine-2-carbonitrile
CID 21090367
N-[2-(4-cyano-1,3-thiazolidin-3-yl)-2-oxoethyl]-6-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)quinoline-4-carboxamide
CID 167118353
8-chloro-N-[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]quinoline-4-carboxamide
CID 78145350
N-[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]-6-(2-methoxypropan-2-yl)quinoline-4-carboxamide
CID 170633400
N-[2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]-8-(methylamino)quinoline-4-carboxamide
CID 156826823
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-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]quinazoline-4-carboxamide
CID 138683897
N-[2-(4-cyano-1,3-thiazolidin-3-yl)-2-oxoethyl]-6-[3-(2,2,2-trifluoroethyl)azetidin-1-yl]quinoline-4-carboxamide
CID 167118481
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 N-[2-(2-cyano-4-fluoropyrrolidin-1-yl)-2-oxoethyl]quinoline-4-carboxamide?
The IUPAC name of N-[2-(2-cyano-4-fluoropyrrolidin-1-yl)-2-oxoethyl]quinoline-4-carboxamide (CID 148820534) is N-[2-(2-cyano-4-fluoropyrrolidin-1-yl)-2-oxoethyl]quinoline-4-carboxamide.
What is the SMILES notation for N-[2-(2-cyano-4-fluoropyrrolidin-1-yl)-2-oxoethyl]quinoline-4-carboxamide?
The canonical SMILES for N-[2-(2-cyano-4-fluoropyrrolidin-1-yl)-2-oxoethyl]quinoline-4-carboxamide is N#CC1CC(F)CN1C(=O)CNC(=O)c1ccnc2ccccc12.
What is the InChIKey of N-[2-(2-cyano-4-fluoropyrrolidin-1-yl)-2-oxoethyl]quinoline-4-carboxamide?
The InChIKey is ORRRPUSEMSKTEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O2/c18-11-7-12(8-19)22(10-11)16(23)9-21-17(24)14-5-6-20-15-4-2-1-3-13(14)15/h1-6,11-12H,7,9-10H2,(H,21,24).
What are the key properties of N-[2-(2-cyano-4-fluoropyrrolidin-1-yl)-2-oxoethyl]quinoline-4-carboxamide?
N-[2-(2-cyano-4-fluoropyrrolidin-1-yl)-2-oxoethyl]quinoline-4-carboxamide has a molecular weight of 326.33 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-cyano-4-fluoropyrrolidin-1-yl)-2-oxoethyl]quinoline-4-carboxamide is sourced from PubChem (CID 148820534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).