6-chloro-2-[[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]quinoline-4-carbonitrile

C16H12ClF3N4O — CID 133309917

IUPAC6-chloro-2-[[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]quinoline-4-carbonitrile
SMILESN#Cc1cc(NC2CCN(CC(F)(F)F)C2=O)nc2ccc(Cl)cc12
InChIInChI=1S/C16H12ClF3N4O/c17-10-1-2-12-11(6-10)9(7-21)5-14(22-12)23-13-3-4-24(15(13)25)8-16(18,19)20/h1-2,5-6,13H,3-4,8H2,(H,22,23)
InChIKeyUDZWHVIRJUZQDK-UHFFFAOYSA-N
MW368.75 g/mol
LogP3.33
Rot. Bonds3

About 6-chloro-2-[[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]quinoline-4-carbonitrile

6-chloro-2-[[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]quinoline-4-carbonitrile (PubChem CID 133309917) has the molecular formula C16H12ClF3N4O and a molecular weight of 368.75 g/mol. Its IUPAC name is 6-chloro-2-[[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]quinoline-4-carbonitrile.

Molecular Properties

Compound Name6-chloro-2-[[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]quinoline-4-carbonitrile
PubChem CID133309917
Molecular FormulaC16H12ClF3N4O
Molecular Weight368.75 g/mol
Exact Mass368.07
IUPAC Name6-chloro-2-[[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]quinoline-4-carbonitrile
SMILESN#Cc1cc(NC2CCN(CC(F)(F)F)C2=O)nc2ccc(Cl)cc12
InChIInChI=1S/C16H12ClF3N4O/c17-10-1-2-12-11(6-10)9(7-21)5-14(22-12)23-13-3-4-24(15(13)25)8-16(18,19)20/h1-2,5-6,13H,3-4,8H2,(H,22,23)
InChIKeyUDZWHVIRJUZQDK-UHFFFAOYSA-N
XLogP3.33
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.75
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-chloro-2-[[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]quinoline-4-carbonitrile with MolForge

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Related Compounds

6-chloro-2-[(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)amino]quinoline-4-carbonitrile
CID 133428808
3-[(6-chloropyrazin-2-yl)amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 133311164
2-fluoro-6-[[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]benzonitrile
CID 133311142
3-(5-chloro-2-methoxyanilino)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 84586099
6-chloro-2-[[1-(2-hydroxycyclohexyl)piperidin-4-yl]amino]quinoline-4-carbonitrile
CID 133376469
6-chloro-2-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]quinoline-4-carbonitrile
CID 133429186
6-chloro-2-[2-(2,5-dioxoimidazolidin-1-yl)ethylamino]quinoline-4-carbonitrile
CID 133310077
3-[2-chloro-5-(hydroxymethyl)anilino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 111336445
6-chloro-2-[(1-cyclopropylbenzimidazol-2-yl)methylamino]quinoline-4-carbonitrile
CID 133466696
2-(2-cyanophenoxy)-N-[(3R)-2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]acetamide
CID 96523980
3-[3-methyl-4-(tetrazol-1-yl)anilino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 71975582
(3S)-3-[3-methyl-4-(tetrazol-1-yl)anilino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 96567944

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]quinoline-4-carbonitrile?
The IUPAC name of 6-chloro-2-[[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]quinoline-4-carbonitrile (CID 133309917) is 6-chloro-2-[[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]quinoline-4-carbonitrile.
What is the SMILES notation for 6-chloro-2-[[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]quinoline-4-carbonitrile?
The canonical SMILES for 6-chloro-2-[[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]quinoline-4-carbonitrile is N#Cc1cc(NC2CCN(CC(F)(F)F)C2=O)nc2ccc(Cl)cc12.
What is the InChIKey of 6-chloro-2-[[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]quinoline-4-carbonitrile?
The InChIKey is UDZWHVIRJUZQDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClF3N4O/c17-10-1-2-12-11(6-10)9(7-21)5-14(22-12)23-13-3-4-24(15(13)25)8-16(18,19)20/h1-2,5-6,13H,3-4,8H2,(H,22,23).
What are the key properties of 6-chloro-2-[[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]quinoline-4-carbonitrile?
6-chloro-2-[[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]quinoline-4-carbonitrile has a molecular weight of 368.75 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]quinoline-4-carbonitrile is sourced from PubChem (CID 133309917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).