4-methyl-2-[(2S)-2-methylpyrrolidin-1-yl]quinoline;2,2,2-trifluoroacetic acid

C17H19F3N2O2 — CID 46259344

IUPAC4-methyl-2-[(2S)-2-methylpyrrolidin-1-yl]quinoline;2,2,2-trifluoroacetic acid
SMILESCc1cc(N2CCC[C@@H]2C)nc2ccccc12.O=C(O)C(F)(F)F
InChIInChI=1S/C15H18N2.C2HF3O2/c1-11-10-15(17-9-5-6-12(17)2)16-14-8-4-3-7-13(11)14;3-2(4,5)1(6)7/h3-4,7-8,10,12H,5-6,9H2,1-2H3;(H,6,7)/t12-;/m0./s1
InChIKeyGPMDVHLHGNNJPJ-YDALLXLXSA-N
MW340.35 g/mol
LogP4.17
Rot. Bonds1

About 4-methyl-2-[(2S)-2-methylpyrrolidin-1-yl]quinoline;2,2,2-trifluoroacetic acid

4-methyl-2-[(2S)-2-methylpyrrolidin-1-yl]quinoline;2,2,2-trifluoroacetic acid (PubChem CID 46259344) has the molecular formula C17H19F3N2O2 and a molecular weight of 340.35 g/mol. Its IUPAC name is 4-methyl-2-[(2S)-2-methylpyrrolidin-1-yl]quinoline;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name4-methyl-2-[(2S)-2-methylpyrrolidin-1-yl]quinoline;2,2,2-trifluoroacetic acid
PubChem CID46259344
Molecular FormulaC17H19F3N2O2
Molecular Weight340.35 g/mol
Exact Mass340.14
IUPAC Name4-methyl-2-[(2S)-2-methylpyrrolidin-1-yl]quinoline;2,2,2-trifluoroacetic acid
SMILESCc1cc(N2CCC[C@@H]2C)nc2ccccc12.O=C(O)C(F)(F)F
InChIInChI=1S/C15H18N2.C2HF3O2/c1-11-10-15(17-9-5-6-12(17)2)16-14-8-4-3-7-13(11)14;3-2(4,5)1(6)7/h3-4,7-8,10,12H,5-6,9H2,1-2H3;(H,6,7)/t12-;/m0./s1
InChIKeyGPMDVHLHGNNJPJ-YDALLXLXSA-N
XLogP4.17
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(2S)-2-methylpyrrolidin-1-yl]quinoline;2,2,2-trifluoroacetic acid?
The IUPAC name of 4-methyl-2-[(2S)-2-methylpyrrolidin-1-yl]quinoline;2,2,2-trifluoroacetic acid (CID 46259344) is 4-methyl-2-[(2S)-2-methylpyrrolidin-1-yl]quinoline;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 4-methyl-2-[(2S)-2-methylpyrrolidin-1-yl]quinoline;2,2,2-trifluoroacetic acid?
The canonical SMILES for 4-methyl-2-[(2S)-2-methylpyrrolidin-1-yl]quinoline;2,2,2-trifluoroacetic acid is Cc1cc(N2CCC[C@@H]2C)nc2ccccc12.O=C(O)C(F)(F)F.
What is the InChIKey of 4-methyl-2-[(2S)-2-methylpyrrolidin-1-yl]quinoline;2,2,2-trifluoroacetic acid?
The InChIKey is GPMDVHLHGNNJPJ-YDALLXLXSA-N. The full InChI is InChI=1S/C15H18N2.C2HF3O2/c1-11-10-15(17-9-5-6-12(17)2)16-14-8-4-3-7-13(11)14;3-2(4,5)1(6)7/h3-4,7-8,10,12H,5-6,9H2,1-2H3;(H,6,7)/t12-;/m0./s1.
What are the key properties of 4-methyl-2-[(2S)-2-methylpyrrolidin-1-yl]quinoline;2,2,2-trifluoroacetic acid?
4-methyl-2-[(2S)-2-methylpyrrolidin-1-yl]quinoline;2,2,2-trifluoroacetic acid has a molecular weight of 340.35 g/mol, XLogP of 4.17, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(2S)-2-methylpyrrolidin-1-yl]quinoline;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 46259344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).