ethyl 1-cyclopropyl-7-fluoro-8-(3-hydroxypyrrolidin-1-yl)-9-methyl-4-oxoquinolizine-3-carboxylate

C20H23FN2O4 — CID 10619394

IUPACethyl 1-cyclopropyl-7-fluoro-8-(3-hydroxypyrrolidin-1-yl)-9-methyl-4-oxoquinolizine-3-carboxylate
SMILESCCOC(=O)c1cc(C2CC2)c2c(C)c(N3CCC(O)C3)c(F)cn2c1=O
InChIInChI=1S/C20H23FN2O4/c1-3-27-20(26)15-8-14(12-4-5-12)17-11(2)18(22-7-6-13(24)9-22)16(21)10-23(17)19(15)25/h8,10,12-13,24H,3-7,9H2,1-2H3
InChIKeyLELFZPIYQCQHSW-UHFFFAOYSA-N
MW374.41 g/mol
LogP2.37
Rot. Bonds4

About ethyl 1-cyclopropyl-7-fluoro-8-(3-hydroxypyrrolidin-1-yl)-9-methyl-4-oxoquinolizine-3-carboxylate

ethyl 1-cyclopropyl-7-fluoro-8-(3-hydroxypyrrolidin-1-yl)-9-methyl-4-oxoquinolizine-3-carboxylate (PubChem CID 10619394) has the molecular formula C20H23FN2O4 and a molecular weight of 374.41 g/mol. Its IUPAC name is ethyl 1-cyclopropyl-7-fluoro-8-(3-hydroxypyrrolidin-1-yl)-9-methyl-4-oxoquinolizine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-cyclopropyl-7-fluoro-8-(3-hydroxypyrrolidin-1-yl)-9-methyl-4-oxoquinolizine-3-carboxylate
PubChem CID10619394
Molecular FormulaC20H23FN2O4
Molecular Weight374.41 g/mol
Exact Mass374.16
IUPAC Nameethyl 1-cyclopropyl-7-fluoro-8-(3-hydroxypyrrolidin-1-yl)-9-methyl-4-oxoquinolizine-3-carboxylate
SMILESCCOC(=O)c1cc(C2CC2)c2c(C)c(N3CCC(O)C3)c(F)cn2c1=O
InChIInChI=1S/C20H23FN2O4/c1-3-27-20(26)15-8-14(12-4-5-12)17-11(2)18(22-7-6-13(24)9-22)16(21)10-23(17)19(15)25/h8,10,12-13,24H,3-7,9H2,1-2H3
InChIKeyLELFZPIYQCQHSW-UHFFFAOYSA-N
XLogP2.37
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.41
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-cyclopropyl-7-fluoro-8-(3-hydroxypyrrolidin-1-yl)-9-methyl-4-oxoquinolizine-3-carboxylate?
The IUPAC name of ethyl 1-cyclopropyl-7-fluoro-8-(3-hydroxypyrrolidin-1-yl)-9-methyl-4-oxoquinolizine-3-carboxylate (CID 10619394) is ethyl 1-cyclopropyl-7-fluoro-8-(3-hydroxypyrrolidin-1-yl)-9-methyl-4-oxoquinolizine-3-carboxylate.
What is the SMILES notation for ethyl 1-cyclopropyl-7-fluoro-8-(3-hydroxypyrrolidin-1-yl)-9-methyl-4-oxoquinolizine-3-carboxylate?
The canonical SMILES for ethyl 1-cyclopropyl-7-fluoro-8-(3-hydroxypyrrolidin-1-yl)-9-methyl-4-oxoquinolizine-3-carboxylate is CCOC(=O)c1cc(C2CC2)c2c(C)c(N3CCC(O)C3)c(F)cn2c1=O.
What is the InChIKey of ethyl 1-cyclopropyl-7-fluoro-8-(3-hydroxypyrrolidin-1-yl)-9-methyl-4-oxoquinolizine-3-carboxylate?
The InChIKey is LELFZPIYQCQHSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O4/c1-3-27-20(26)15-8-14(12-4-5-12)17-11(2)18(22-7-6-13(24)9-22)16(21)10-23(17)19(15)25/h8,10,12-13,24H,3-7,9H2,1-2H3.
What are the key properties of ethyl 1-cyclopropyl-7-fluoro-8-(3-hydroxypyrrolidin-1-yl)-9-methyl-4-oxoquinolizine-3-carboxylate?
ethyl 1-cyclopropyl-7-fluoro-8-(3-hydroxypyrrolidin-1-yl)-9-methyl-4-oxoquinolizine-3-carboxylate has a molecular weight of 374.41 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-cyclopropyl-7-fluoro-8-(3-hydroxypyrrolidin-1-yl)-9-methyl-4-oxoquinolizine-3-carboxylate is sourced from PubChem (CID 10619394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).