4,8-dimethyl-2-pyrrolidin-1-ylquinoline;2,2,2-trifluoroacetic acid

C17H19F3N2O2 — CID 46891915

IUPAC4,8-dimethyl-2-pyrrolidin-1-ylquinoline;2,2,2-trifluoroacetic acid
SMILESCc1cc(N2CCCC2)nc2c(C)cccc12.O=C(O)C(F)(F)F
InChIInChI=1S/C15H18N2.C2HF3O2/c1-11-6-5-7-13-12(2)10-14(16-15(11)13)17-8-3-4-9-17;3-2(4,5)1(6)7/h5-7,10H,3-4,8-9H2,1-2H3;(H,6,7)
InChIKeyLTPNHMQXSYSBNE-UHFFFAOYSA-N
MW340.35 g/mol
LogP4.09
Rot. Bonds1

About 4,8-dimethyl-2-pyrrolidin-1-ylquinoline;2,2,2-trifluoroacetic acid

4,8-dimethyl-2-pyrrolidin-1-ylquinoline;2,2,2-trifluoroacetic acid (PubChem CID 46891915) has the molecular formula C17H19F3N2O2 and a molecular weight of 340.35 g/mol. Its IUPAC name is 4,8-dimethyl-2-pyrrolidin-1-ylquinoline;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name4,8-dimethyl-2-pyrrolidin-1-ylquinoline;2,2,2-trifluoroacetic acid
PubChem CID46891915
Molecular FormulaC17H19F3N2O2
Molecular Weight340.35 g/mol
Exact Mass340.14
IUPAC Name4,8-dimethyl-2-pyrrolidin-1-ylquinoline;2,2,2-trifluoroacetic acid
SMILESCc1cc(N2CCCC2)nc2c(C)cccc12.O=C(O)C(F)(F)F
InChIInChI=1S/C15H18N2.C2HF3O2/c1-11-6-5-7-13-12(2)10-14(16-15(11)13)17-8-3-4-9-17;3-2(4,5)1(6)7/h5-7,10H,3-4,8-9H2,1-2H3;(H,6,7)
InChIKeyLTPNHMQXSYSBNE-UHFFFAOYSA-N
XLogP4.09
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 ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,8-dimethyl-2-pyrrolidin-1-ylquinoline;2,2,2-trifluoroacetic acid?
The IUPAC name of 4,8-dimethyl-2-pyrrolidin-1-ylquinoline;2,2,2-trifluoroacetic acid (CID 46891915) is 4,8-dimethyl-2-pyrrolidin-1-ylquinoline;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 4,8-dimethyl-2-pyrrolidin-1-ylquinoline;2,2,2-trifluoroacetic acid?
The canonical SMILES for 4,8-dimethyl-2-pyrrolidin-1-ylquinoline;2,2,2-trifluoroacetic acid is Cc1cc(N2CCCC2)nc2c(C)cccc12.O=C(O)C(F)(F)F.
What is the InChIKey of 4,8-dimethyl-2-pyrrolidin-1-ylquinoline;2,2,2-trifluoroacetic acid?
The InChIKey is LTPNHMQXSYSBNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2.C2HF3O2/c1-11-6-5-7-13-12(2)10-14(16-15(11)13)17-8-3-4-9-17;3-2(4,5)1(6)7/h5-7,10H,3-4,8-9H2,1-2H3;(H,6,7).
What are the key properties of 4,8-dimethyl-2-pyrrolidin-1-ylquinoline;2,2,2-trifluoroacetic acid?
4,8-dimethyl-2-pyrrolidin-1-ylquinoline;2,2,2-trifluoroacetic acid has a molecular weight of 340.35 g/mol, XLogP of 4.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8-dimethyl-2-pyrrolidin-1-ylquinoline;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 46891915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).