ethyl 1-cyclopropyl-7-fluoro-9-methyl-4-oxo-8-pyrrolidin-1-ylquinolizine-3-carboxylate

C20H23FN2O3 — CID 10832239

IUPACethyl 1-cyclopropyl-7-fluoro-9-methyl-4-oxo-8-pyrrolidin-1-ylquinolizine-3-carboxylate
SMILESCCOC(=O)c1cc(C2CC2)c2c(C)c(N3CCCC3)c(F)cn2c1=O
InChIInChI=1S/C20H23FN2O3/c1-3-26-20(25)15-10-14(13-6-7-13)17-12(2)18(22-8-4-5-9-22)16(21)11-23(17)19(15)24/h10-11,13H,3-9H2,1-2H3
InChIKeyWXUMOHCFQYOROB-UHFFFAOYSA-N
MW358.41 g/mol
LogP3.40
Rot. Bonds4

About ethyl 1-cyclopropyl-7-fluoro-9-methyl-4-oxo-8-pyrrolidin-1-ylquinolizine-3-carboxylate

ethyl 1-cyclopropyl-7-fluoro-9-methyl-4-oxo-8-pyrrolidin-1-ylquinolizine-3-carboxylate (PubChem CID 10832239) has the molecular formula C20H23FN2O3 and a molecular weight of 358.41 g/mol. Its IUPAC name is ethyl 1-cyclopropyl-7-fluoro-9-methyl-4-oxo-8-pyrrolidin-1-ylquinolizine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-cyclopropyl-7-fluoro-9-methyl-4-oxo-8-pyrrolidin-1-ylquinolizine-3-carboxylate
PubChem CID10832239
Molecular FormulaC20H23FN2O3
Molecular Weight358.41 g/mol
Exact Mass358.17
IUPAC Nameethyl 1-cyclopropyl-7-fluoro-9-methyl-4-oxo-8-pyrrolidin-1-ylquinolizine-3-carboxylate
SMILESCCOC(=O)c1cc(C2CC2)c2c(C)c(N3CCCC3)c(F)cn2c1=O
InChIInChI=1S/C20H23FN2O3/c1-3-26-20(25)15-10-14(13-6-7-13)17-12(2)18(22-8-4-5-9-22)16(21)11-23(17)19(15)24/h10-11,13H,3-9H2,1-2H3
InChIKeyWXUMOHCFQYOROB-UHFFFAOYSA-N
XLogP3.40
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-cyclopropyl-7-fluoro-9-methyl-4-oxo-8-pyrrolidin-1-ylquinolizine-3-carboxylate?
The IUPAC name of ethyl 1-cyclopropyl-7-fluoro-9-methyl-4-oxo-8-pyrrolidin-1-ylquinolizine-3-carboxylate (CID 10832239) is ethyl 1-cyclopropyl-7-fluoro-9-methyl-4-oxo-8-pyrrolidin-1-ylquinolizine-3-carboxylate.
What is the SMILES notation for ethyl 1-cyclopropyl-7-fluoro-9-methyl-4-oxo-8-pyrrolidin-1-ylquinolizine-3-carboxylate?
The canonical SMILES for ethyl 1-cyclopropyl-7-fluoro-9-methyl-4-oxo-8-pyrrolidin-1-ylquinolizine-3-carboxylate is CCOC(=O)c1cc(C2CC2)c2c(C)c(N3CCCC3)c(F)cn2c1=O.
What is the InChIKey of ethyl 1-cyclopropyl-7-fluoro-9-methyl-4-oxo-8-pyrrolidin-1-ylquinolizine-3-carboxylate?
The InChIKey is WXUMOHCFQYOROB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O3/c1-3-26-20(25)15-10-14(13-6-7-13)17-12(2)18(22-8-4-5-9-22)16(21)11-23(17)19(15)24/h10-11,13H,3-9H2,1-2H3.
What are the key properties of ethyl 1-cyclopropyl-7-fluoro-9-methyl-4-oxo-8-pyrrolidin-1-ylquinolizine-3-carboxylate?
ethyl 1-cyclopropyl-7-fluoro-9-methyl-4-oxo-8-pyrrolidin-1-ylquinolizine-3-carboxylate has a molecular weight of 358.41 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-cyclopropyl-7-fluoro-9-methyl-4-oxo-8-pyrrolidin-1-ylquinolizine-3-carboxylate is sourced from PubChem (CID 10832239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).