4-methyl-2-pyrrolidin-1-ylquinoline;2,2,2-trifluoroacetic acid

C16H17F3N2O2 — CID 46259336

IUPAC4-methyl-2-pyrrolidin-1-ylquinoline;2,2,2-trifluoroacetic acid
SMILESCc1cc(N2CCCC2)nc2ccccc12.O=C(O)C(F)(F)F
InChIInChI=1S/C14H16N2.C2HF3O2/c1-11-10-14(16-8-4-5-9-16)15-13-7-3-2-6-12(11)13;3-2(4,5)1(6)7/h2-3,6-7,10H,4-5,8-9H2,1H3;(H,6,7)
InChIKeyVVBCJANRVIZXGX-UHFFFAOYSA-N
MW326.32 g/mol
LogP3.78
Rot. Bonds1

About 4-methyl-2-pyrrolidin-1-ylquinoline;2,2,2-trifluoroacetic acid

4-methyl-2-pyrrolidin-1-ylquinoline;2,2,2-trifluoroacetic acid (PubChem CID 46259336) has the molecular formula C16H17F3N2O2 and a molecular weight of 326.32 g/mol. Its IUPAC name is 4-methyl-2-pyrrolidin-1-ylquinoline;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name4-methyl-2-pyrrolidin-1-ylquinoline;2,2,2-trifluoroacetic acid
PubChem CID46259336
Molecular FormulaC16H17F3N2O2
Molecular Weight326.32 g/mol
Exact Mass326.12
IUPAC Name4-methyl-2-pyrrolidin-1-ylquinoline;2,2,2-trifluoroacetic acid
SMILESCc1cc(N2CCCC2)nc2ccccc12.O=C(O)C(F)(F)F
InChIInChI=1S/C14H16N2.C2HF3O2/c1-11-10-14(16-8-4-5-9-16)15-13-7-3-2-6-12(11)13;3-2(4,5)1(6)7/h2-3,6-7,10H,4-5,8-9H2,1H3;(H,6,7)
InChIKeyVVBCJANRVIZXGX-UHFFFAOYSA-N
XLogP3.78
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.32
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-methyl-2-pyrrolidin-1-ylquinoline;2,2,2-trifluoroacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-pyrrolidin-1-ylquinoline;2,2,2-trifluoroacetic acid?
The IUPAC name of 4-methyl-2-pyrrolidin-1-ylquinoline;2,2,2-trifluoroacetic acid (CID 46259336) is 4-methyl-2-pyrrolidin-1-ylquinoline;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 4-methyl-2-pyrrolidin-1-ylquinoline;2,2,2-trifluoroacetic acid?
The canonical SMILES for 4-methyl-2-pyrrolidin-1-ylquinoline;2,2,2-trifluoroacetic acid is Cc1cc(N2CCCC2)nc2ccccc12.O=C(O)C(F)(F)F.
What is the InChIKey of 4-methyl-2-pyrrolidin-1-ylquinoline;2,2,2-trifluoroacetic acid?
The InChIKey is VVBCJANRVIZXGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2.C2HF3O2/c1-11-10-14(16-8-4-5-9-16)15-13-7-3-2-6-12(11)13;3-2(4,5)1(6)7/h2-3,6-7,10H,4-5,8-9H2,1H3;(H,6,7).
What are the key properties of 4-methyl-2-pyrrolidin-1-ylquinoline;2,2,2-trifluoroacetic acid?
4-methyl-2-pyrrolidin-1-ylquinoline;2,2,2-trifluoroacetic acid has a molecular weight of 326.32 g/mol, XLogP of 3.78, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-pyrrolidin-1-ylquinoline;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 46259336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).