(3-fluorophenyl)methyl 2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxylate

C19H20FNO4 — CID 53179873

IUPAC(3-fluorophenyl)methyl 2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxylate
SMILESCCOc1cc(=O)n2c(c1C(=O)OCc1cccc(F)c1)CCCC2
InChIInChI=1S/C19H20FNO4/c1-2-24-16-11-17(22)21-9-4-3-8-15(21)18(16)19(23)25-12-13-6-5-7-14(20)10-13/h5-7,10-11H,2-4,8-9,12H2,1H3
InChIKeyHPNZJMBRVZKICF-UHFFFAOYSA-N
MW345.37 g/mol
LogP3.08
Rot. Bonds5

About (3-fluorophenyl)methyl 2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxylate

(3-fluorophenyl)methyl 2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxylate (PubChem CID 53179873) has the molecular formula C19H20FNO4 and a molecular weight of 345.37 g/mol. Its IUPAC name is (3-fluorophenyl)methyl 2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxylate.

Molecular Properties

Compound Name(3-fluorophenyl)methyl 2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxylate
PubChem CID53179873
Molecular FormulaC19H20FNO4
Molecular Weight345.37 g/mol
Exact Mass345.14
IUPAC Name(3-fluorophenyl)methyl 2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxylate
SMILESCCOc1cc(=O)n2c(c1C(=O)OCc1cccc(F)c1)CCCC2
InChIInChI=1S/C19H20FNO4/c1-2-24-16-11-17(22)21-9-4-3-8-15(21)18(16)19(23)25-12-13-6-5-7-14(20)10-13/h5-7,10-11H,2-4,8-9,12H2,1H3
InChIKeyHPNZJMBRVZKICF-UHFFFAOYSA-N
XLogP3.08
TPSA57.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)methyl 2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxylate?
The IUPAC name of (3-fluorophenyl)methyl 2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxylate (CID 53179873) is (3-fluorophenyl)methyl 2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxylate.
What is the SMILES notation for (3-fluorophenyl)methyl 2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxylate?
The canonical SMILES for (3-fluorophenyl)methyl 2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxylate is CCOc1cc(=O)n2c(c1C(=O)OCc1cccc(F)c1)CCCC2.
What is the InChIKey of (3-fluorophenyl)methyl 2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxylate?
The InChIKey is HPNZJMBRVZKICF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO4/c1-2-24-16-11-17(22)21-9-4-3-8-15(21)18(16)19(23)25-12-13-6-5-7-14(20)10-13/h5-7,10-11H,2-4,8-9,12H2,1H3.
What are the key properties of (3-fluorophenyl)methyl 2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxylate?
(3-fluorophenyl)methyl 2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxylate has a molecular weight of 345.37 g/mol, XLogP of 3.08, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)methyl 2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxylate is sourced from PubChem (CID 53179873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).