methyl 3-(4-fluorophenyl)-4-oxoquinolizine-1-carboxylate

C17H12FNO3 — CID 19020489

IUPACmethyl 3-(4-fluorophenyl)-4-oxoquinolizine-1-carboxylate
SMILESCOC(=O)c1cc(-c2ccc(F)cc2)c(=O)n2ccccc12
InChIInChI=1S/C17H12FNO3/c1-22-17(21)14-10-13(11-5-7-12(18)8-6-11)16(20)19-9-3-2-4-15(14)19/h2-10H,1H3
InChIKeyCAXXRLKOIWMXGC-UHFFFAOYSA-N
MW297.29 g/mol
LogP2.89
Rot. Bonds2

About methyl 3-(4-fluorophenyl)-4-oxoquinolizine-1-carboxylate

methyl 3-(4-fluorophenyl)-4-oxoquinolizine-1-carboxylate (PubChem CID 19020489) has the molecular formula C17H12FNO3 and a molecular weight of 297.29 g/mol. Its IUPAC name is methyl 3-(4-fluorophenyl)-4-oxoquinolizine-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-(4-fluorophenyl)-4-oxoquinolizine-1-carboxylate
PubChem CID19020489
Molecular FormulaC17H12FNO3
Molecular Weight297.29 g/mol
Exact Mass297.08
IUPAC Namemethyl 3-(4-fluorophenyl)-4-oxoquinolizine-1-carboxylate
SMILESCOC(=O)c1cc(-c2ccc(F)cc2)c(=O)n2ccccc12
InChIInChI=1S/C17H12FNO3/c1-22-17(21)14-10-13(11-5-7-12(18)8-6-11)16(20)19-9-3-2-4-15(14)19/h2-10H,1H3
InChIKeyCAXXRLKOIWMXGC-UHFFFAOYSA-N
XLogP2.89
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.29
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-fluorophenyl)-4-oxoquinolizine-1-carboxylate?
The IUPAC name of methyl 3-(4-fluorophenyl)-4-oxoquinolizine-1-carboxylate (CID 19020489) is methyl 3-(4-fluorophenyl)-4-oxoquinolizine-1-carboxylate.
What is the SMILES notation for methyl 3-(4-fluorophenyl)-4-oxoquinolizine-1-carboxylate?
The canonical SMILES for methyl 3-(4-fluorophenyl)-4-oxoquinolizine-1-carboxylate is COC(=O)c1cc(-c2ccc(F)cc2)c(=O)n2ccccc12.
What is the InChIKey of methyl 3-(4-fluorophenyl)-4-oxoquinolizine-1-carboxylate?
The InChIKey is CAXXRLKOIWMXGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FNO3/c1-22-17(21)14-10-13(11-5-7-12(18)8-6-11)16(20)19-9-3-2-4-15(14)19/h2-10H,1H3.
What are the key properties of methyl 3-(4-fluorophenyl)-4-oxoquinolizine-1-carboxylate?
methyl 3-(4-fluorophenyl)-4-oxoquinolizine-1-carboxylate has a molecular weight of 297.29 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-fluorophenyl)-4-oxoquinolizine-1-carboxylate is sourced from PubChem (CID 19020489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).