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

C18H21F3N2O2 — CID 46891900

IUPAC6-ethyl-4-methyl-2-pyrrolidin-1-ylquinoline;2,2,2-trifluoroacetic acid
SMILESCCc1ccc2nc(N3CCCC3)cc(C)c2c1.O=C(O)C(F)(F)F
InChIInChI=1S/C16H20N2.C2HF3O2/c1-3-13-6-7-15-14(11-13)12(2)10-16(17-15)18-8-4-5-9-18;3-2(4,5)1(6)7/h6-7,10-11H,3-5,8-9H2,1-2H3;(H,6,7)
InChIKeyMBFFRMGBCNIZQR-UHFFFAOYSA-N
MW354.37 g/mol
LogP4.34
Rot. Bonds2

About 6-ethyl-4-methyl-2-pyrrolidin-1-ylquinoline;2,2,2-trifluoroacetic acid

6-ethyl-4-methyl-2-pyrrolidin-1-ylquinoline;2,2,2-trifluoroacetic acid (PubChem CID 46891900) has the molecular formula C18H21F3N2O2 and a molecular weight of 354.37 g/mol. Its IUPAC name is 6-ethyl-4-methyl-2-pyrrolidin-1-ylquinoline;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name6-ethyl-4-methyl-2-pyrrolidin-1-ylquinoline;2,2,2-trifluoroacetic acid
PubChem CID46891900
Molecular FormulaC18H21F3N2O2
Molecular Weight354.37 g/mol
Exact Mass354.16
IUPAC Name6-ethyl-4-methyl-2-pyrrolidin-1-ylquinoline;2,2,2-trifluoroacetic acid
SMILESCCc1ccc2nc(N3CCCC3)cc(C)c2c1.O=C(O)C(F)(F)F
InChIInChI=1S/C16H20N2.C2HF3O2/c1-3-13-6-7-15-14(11-13)12(2)10-16(17-15)18-8-4-5-9-18;3-2(4,5)1(6)7/h6-7,10-11H,3-5,8-9H2,1-2H3;(H,6,7)
InChIKeyMBFFRMGBCNIZQR-UHFFFAOYSA-N
XLogP4.34
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-4-methyl-2-pyrrolidin-1-ylquinoline;2,2,2-trifluoroacetic acid?
The IUPAC name of 6-ethyl-4-methyl-2-pyrrolidin-1-ylquinoline;2,2,2-trifluoroacetic acid (CID 46891900) is 6-ethyl-4-methyl-2-pyrrolidin-1-ylquinoline;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 6-ethyl-4-methyl-2-pyrrolidin-1-ylquinoline;2,2,2-trifluoroacetic acid?
The canonical SMILES for 6-ethyl-4-methyl-2-pyrrolidin-1-ylquinoline;2,2,2-trifluoroacetic acid is CCc1ccc2nc(N3CCCC3)cc(C)c2c1.O=C(O)C(F)(F)F.
What is the InChIKey of 6-ethyl-4-methyl-2-pyrrolidin-1-ylquinoline;2,2,2-trifluoroacetic acid?
The InChIKey is MBFFRMGBCNIZQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2.C2HF3O2/c1-3-13-6-7-15-14(11-13)12(2)10-16(17-15)18-8-4-5-9-18;3-2(4,5)1(6)7/h6-7,10-11H,3-5,8-9H2,1-2H3;(H,6,7).
What are the key properties of 6-ethyl-4-methyl-2-pyrrolidin-1-ylquinoline;2,2,2-trifluoroacetic acid?
6-ethyl-4-methyl-2-pyrrolidin-1-ylquinoline;2,2,2-trifluoroacetic acid has a molecular weight of 354.37 g/mol, XLogP of 4.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-4-methyl-2-pyrrolidin-1-ylquinoline;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 46891900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).