2-ethoxy-N-(4-fluorophenyl)-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide

C18H19FN2O3 — CID 91904487

IUPAC2-ethoxy-N-(4-fluorophenyl)-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide
SMILESCCOc1cc(=O)n2c(c1C(=O)Nc1ccc(F)cc1)CCCC2
InChIInChI=1S/C18H19FN2O3/c1-2-24-15-11-16(22)21-10-4-3-5-14(21)17(15)18(23)20-13-8-6-12(19)7-9-13/h6-9,11H,2-5,10H2,1H3,(H,20,23)
InChIKeyDACWPKUNCAXOKV-UHFFFAOYSA-N
MW330.36 g/mol
LogP2.97
Rot. Bonds4

About 2-ethoxy-N-(4-fluorophenyl)-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide

2-ethoxy-N-(4-fluorophenyl)-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide (PubChem CID 91904487) has the molecular formula C18H19FN2O3 and a molecular weight of 330.36 g/mol. Its IUPAC name is 2-ethoxy-N-(4-fluorophenyl)-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide.

Molecular Properties

Compound Name2-ethoxy-N-(4-fluorophenyl)-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide
PubChem CID91904487
Molecular FormulaC18H19FN2O3
Molecular Weight330.36 g/mol
Exact Mass330.14
IUPAC Name2-ethoxy-N-(4-fluorophenyl)-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide
SMILESCCOc1cc(=O)n2c(c1C(=O)Nc1ccc(F)cc1)CCCC2
InChIInChI=1S/C18H19FN2O3/c1-2-24-15-11-16(22)21-10-4-3-5-14(21)17(15)18(23)20-13-8-6-12(19)7-9-13/h6-9,11H,2-5,10H2,1H3,(H,20,23)
InChIKeyDACWPKUNCAXOKV-UHFFFAOYSA-N
XLogP2.97
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-(4-fluorophenyl)-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide?
The IUPAC name of 2-ethoxy-N-(4-fluorophenyl)-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide (CID 91904487) is 2-ethoxy-N-(4-fluorophenyl)-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide.
What is the SMILES notation for 2-ethoxy-N-(4-fluorophenyl)-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide?
The canonical SMILES for 2-ethoxy-N-(4-fluorophenyl)-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide is CCOc1cc(=O)n2c(c1C(=O)Nc1ccc(F)cc1)CCCC2.
What is the InChIKey of 2-ethoxy-N-(4-fluorophenyl)-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide?
The InChIKey is DACWPKUNCAXOKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O3/c1-2-24-15-11-16(22)21-10-4-3-5-14(21)17(15)18(23)20-13-8-6-12(19)7-9-13/h6-9,11H,2-5,10H2,1H3,(H,20,23).
What are the key properties of 2-ethoxy-N-(4-fluorophenyl)-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide?
2-ethoxy-N-(4-fluorophenyl)-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide has a molecular weight of 330.36 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-(4-fluorophenyl)-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide is sourced from PubChem (CID 91904487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).