ethyl 7-fluoro-4-oxoquinolizine-3-carboxylate

C12H10FNO3 — CID 163320843

IUPACethyl 7-fluoro-4-oxoquinolizine-3-carboxylate
SMILESCCOC(=O)c1ccc2ccc(F)cn2c1=O
InChIInChI=1S/C12H10FNO3/c1-2-17-12(16)10-6-5-9-4-3-8(13)7-14(9)11(10)15/h3-7H,2H2,1H3
InChIKeyFFMYRJYUQJAVSS-UHFFFAOYSA-N
MW235.21 g/mol
LogP1.62
Rot. Bonds2

About ethyl 7-fluoro-4-oxoquinolizine-3-carboxylate

ethyl 7-fluoro-4-oxoquinolizine-3-carboxylate (PubChem CID 163320843) has the molecular formula C12H10FNO3 and a molecular weight of 235.21 g/mol. Its IUPAC name is ethyl 7-fluoro-4-oxoquinolizine-3-carboxylate.

Molecular Properties

Compound Nameethyl 7-fluoro-4-oxoquinolizine-3-carboxylate
PubChem CID163320843
Molecular FormulaC12H10FNO3
Molecular Weight235.21 g/mol
Exact Mass235.06
IUPAC Nameethyl 7-fluoro-4-oxoquinolizine-3-carboxylate
SMILESCCOC(=O)c1ccc2ccc(F)cn2c1=O
InChIInChI=1S/C12H10FNO3/c1-2-17-12(16)10-6-5-9-4-3-8(13)7-14(9)11(10)15/h3-7H,2H2,1H3
InChIKeyFFMYRJYUQJAVSS-UHFFFAOYSA-N
XLogP1.62
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.21
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 7-fluoro-4-oxoquinolizine-3-carboxylate?
The IUPAC name of ethyl 7-fluoro-4-oxoquinolizine-3-carboxylate (CID 163320843) is ethyl 7-fluoro-4-oxoquinolizine-3-carboxylate.
What is the SMILES notation for ethyl 7-fluoro-4-oxoquinolizine-3-carboxylate?
The canonical SMILES for ethyl 7-fluoro-4-oxoquinolizine-3-carboxylate is CCOC(=O)c1ccc2ccc(F)cn2c1=O.
What is the InChIKey of ethyl 7-fluoro-4-oxoquinolizine-3-carboxylate?
The InChIKey is FFMYRJYUQJAVSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO3/c1-2-17-12(16)10-6-5-9-4-3-8(13)7-14(9)11(10)15/h3-7H,2H2,1H3.
What are the key properties of ethyl 7-fluoro-4-oxoquinolizine-3-carboxylate?
ethyl 7-fluoro-4-oxoquinolizine-3-carboxylate has a molecular weight of 235.21 g/mol, XLogP of 1.62, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-fluoro-4-oxoquinolizine-3-carboxylate is sourced from PubChem (CID 163320843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).