ethyl 1-ethyl-6-fluoro-4-oxo-7-piperidin-1-ylquinoline-3-carboxylate

C19H23FN2O3 — CID 659572

IUPACethyl 1-ethyl-6-fluoro-4-oxo-7-piperidin-1-ylquinoline-3-carboxylate
SMILESCCOC(=O)c1cn(CC)c2cc(N3CCCCC3)c(F)cc2c1=O
InChIInChI=1S/C19H23FN2O3/c1-3-21-12-14(19(24)25-4-2)18(23)13-10-15(20)17(11-16(13)21)22-8-6-5-7-9-22/h10-12H,3-9H2,1-2H3
InChIKeyRRDUBKZHUJXICD-UHFFFAOYSA-N
MW346.40 g/mol
LogP3.33
Rot. Bonds4

About ethyl 1-ethyl-6-fluoro-4-oxo-7-piperidin-1-ylquinoline-3-carboxylate

ethyl 1-ethyl-6-fluoro-4-oxo-7-piperidin-1-ylquinoline-3-carboxylate (PubChem CID 659572) has the molecular formula C19H23FN2O3 and a molecular weight of 346.40 g/mol. Its IUPAC name is ethyl 1-ethyl-6-fluoro-4-oxo-7-piperidin-1-ylquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-ethyl-6-fluoro-4-oxo-7-piperidin-1-ylquinoline-3-carboxylate
PubChem CID659572
Molecular FormulaC19H23FN2O3
Molecular Weight346.40 g/mol
Exact Mass346.17
IUPAC Nameethyl 1-ethyl-6-fluoro-4-oxo-7-piperidin-1-ylquinoline-3-carboxylate
SMILESCCOC(=O)c1cn(CC)c2cc(N3CCCCC3)c(F)cc2c1=O
InChIInChI=1S/C19H23FN2O3/c1-3-21-12-14(19(24)25-4-2)18(23)13-10-15(20)17(11-16(13)21)22-8-6-5-7-9-22/h10-12H,3-9H2,1-2H3
InChIKeyRRDUBKZHUJXICD-UHFFFAOYSA-N
XLogP3.33
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.40
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-ethyl-6-fluoro-4-oxo-7-piperidin-1-ylquinoline-3-carboxylate?
The IUPAC name of ethyl 1-ethyl-6-fluoro-4-oxo-7-piperidin-1-ylquinoline-3-carboxylate (CID 659572) is ethyl 1-ethyl-6-fluoro-4-oxo-7-piperidin-1-ylquinoline-3-carboxylate.
What is the SMILES notation for ethyl 1-ethyl-6-fluoro-4-oxo-7-piperidin-1-ylquinoline-3-carboxylate?
The canonical SMILES for ethyl 1-ethyl-6-fluoro-4-oxo-7-piperidin-1-ylquinoline-3-carboxylate is CCOC(=O)c1cn(CC)c2cc(N3CCCCC3)c(F)cc2c1=O.
What is the InChIKey of ethyl 1-ethyl-6-fluoro-4-oxo-7-piperidin-1-ylquinoline-3-carboxylate?
The InChIKey is RRDUBKZHUJXICD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O3/c1-3-21-12-14(19(24)25-4-2)18(23)13-10-15(20)17(11-16(13)21)22-8-6-5-7-9-22/h10-12H,3-9H2,1-2H3.
What are the key properties of ethyl 1-ethyl-6-fluoro-4-oxo-7-piperidin-1-ylquinoline-3-carboxylate?
ethyl 1-ethyl-6-fluoro-4-oxo-7-piperidin-1-ylquinoline-3-carboxylate has a molecular weight of 346.40 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-ethyl-6-fluoro-4-oxo-7-piperidin-1-ylquinoline-3-carboxylate is sourced from PubChem (CID 659572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).