methyl 6-(4-fluorophenyl)-4-oxo-6,7,8,9-tetrahydroquinolizine-3-carboxylate

C17H16FNO3 — CID 59591070

IUPACmethyl 6-(4-fluorophenyl)-4-oxo-6,7,8,9-tetrahydroquinolizine-3-carboxylate
SMILESCOC(=O)c1ccc2n(c1=O)C(c1ccc(F)cc1)CCC2
InChIInChI=1S/C17H16FNO3/c1-22-17(21)14-10-9-13-3-2-4-15(19(13)16(14)20)11-5-7-12(18)8-6-11/h5-10,15H,2-4H2,1H3
InChIKeyIJFXDWQAZKSFNA-UHFFFAOYSA-N
MW301.32 g/mol
LogP2.70
Rot. Bonds2

About methyl 6-(4-fluorophenyl)-4-oxo-6,7,8,9-tetrahydroquinolizine-3-carboxylate

methyl 6-(4-fluorophenyl)-4-oxo-6,7,8,9-tetrahydroquinolizine-3-carboxylate (PubChem CID 59591070) has the molecular formula C17H16FNO3 and a molecular weight of 301.32 g/mol. Its IUPAC name is methyl 6-(4-fluorophenyl)-4-oxo-6,7,8,9-tetrahydroquinolizine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-(4-fluorophenyl)-4-oxo-6,7,8,9-tetrahydroquinolizine-3-carboxylate
PubChem CID59591070
Molecular FormulaC17H16FNO3
Molecular Weight301.32 g/mol
Exact Mass301.11
IUPAC Namemethyl 6-(4-fluorophenyl)-4-oxo-6,7,8,9-tetrahydroquinolizine-3-carboxylate
SMILESCOC(=O)c1ccc2n(c1=O)C(c1ccc(F)cc1)CCC2
InChIInChI=1S/C17H16FNO3/c1-22-17(21)14-10-9-13-3-2-4-15(19(13)16(14)20)11-5-7-12(18)8-6-11/h5-10,15H,2-4H2,1H3
InChIKeyIJFXDWQAZKSFNA-UHFFFAOYSA-N
XLogP2.70
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 6-(4-fluorophenyl)-4-oxo-6,7,8,9-tetrahydroquinolizine-3-carboxylate?
The IUPAC name of methyl 6-(4-fluorophenyl)-4-oxo-6,7,8,9-tetrahydroquinolizine-3-carboxylate (CID 59591070) is methyl 6-(4-fluorophenyl)-4-oxo-6,7,8,9-tetrahydroquinolizine-3-carboxylate.
What is the SMILES notation for methyl 6-(4-fluorophenyl)-4-oxo-6,7,8,9-tetrahydroquinolizine-3-carboxylate?
The canonical SMILES for methyl 6-(4-fluorophenyl)-4-oxo-6,7,8,9-tetrahydroquinolizine-3-carboxylate is COC(=O)c1ccc2n(c1=O)C(c1ccc(F)cc1)CCC2.
What is the InChIKey of methyl 6-(4-fluorophenyl)-4-oxo-6,7,8,9-tetrahydroquinolizine-3-carboxylate?
The InChIKey is IJFXDWQAZKSFNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO3/c1-22-17(21)14-10-9-13-3-2-4-15(19(13)16(14)20)11-5-7-12(18)8-6-11/h5-10,15H,2-4H2,1H3.
What are the key properties of methyl 6-(4-fluorophenyl)-4-oxo-6,7,8,9-tetrahydroquinolizine-3-carboxylate?
methyl 6-(4-fluorophenyl)-4-oxo-6,7,8,9-tetrahydroquinolizine-3-carboxylate has a molecular weight of 301.32 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(4-fluorophenyl)-4-oxo-6,7,8,9-tetrahydroquinolizine-3-carboxylate is sourced from PubChem (CID 59591070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).