2-ethoxy-1-[4-(4-fluorophenyl)piperazine-1-carbonyl]-6,7,8,9-tetrahydroquinolizin-4-one

C22H26FN3O3 — CID 91904477

IUPAC2-ethoxy-1-[4-(4-fluorophenyl)piperazine-1-carbonyl]-6,7,8,9-tetrahydroquinolizin-4-one
SMILESCCOc1cc(=O)n2c(c1C(=O)N1CCN(c3ccc(F)cc3)CC1)CCCC2
InChIInChI=1S/C22H26FN3O3/c1-2-29-19-15-20(27)26-10-4-3-5-18(26)21(19)22(28)25-13-11-24(12-14-25)17-8-6-16(23)7-9-17/h6-9,15H,2-5,10-14H2,1H3
InChIKeyWWABPNVEJWCDKT-UHFFFAOYSA-N
MW399.47 g/mol
LogP2.68
Rot. Bonds4

About 2-ethoxy-1-[4-(4-fluorophenyl)piperazine-1-carbonyl]-6,7,8,9-tetrahydroquinolizin-4-one

2-ethoxy-1-[4-(4-fluorophenyl)piperazine-1-carbonyl]-6,7,8,9-tetrahydroquinolizin-4-one (PubChem CID 91904477) has the molecular formula C22H26FN3O3 and a molecular weight of 399.47 g/mol. Its IUPAC name is 2-ethoxy-1-[4-(4-fluorophenyl)piperazine-1-carbonyl]-6,7,8,9-tetrahydroquinolizin-4-one.

Molecular Properties

Compound Name2-ethoxy-1-[4-(4-fluorophenyl)piperazine-1-carbonyl]-6,7,8,9-tetrahydroquinolizin-4-one
PubChem CID91904477
Molecular FormulaC22H26FN3O3
Molecular Weight399.47 g/mol
Exact Mass399.20
IUPAC Name2-ethoxy-1-[4-(4-fluorophenyl)piperazine-1-carbonyl]-6,7,8,9-tetrahydroquinolizin-4-one
SMILESCCOc1cc(=O)n2c(c1C(=O)N1CCN(c3ccc(F)cc3)CC1)CCCC2
InChIInChI=1S/C22H26FN3O3/c1-2-29-19-15-20(27)26-10-4-3-5-18(26)21(19)22(28)25-13-11-24(12-14-25)17-8-6-16(23)7-9-17/h6-9,15H,2-5,10-14H2,1H3
InChIKeyWWABPNVEJWCDKT-UHFFFAOYSA-N
XLogP2.68
TPSA54.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-ethoxy-1-[4-(4-fluorophenyl)piperazine-1-carbonyl]-6,7,8,9-tetrahydroquinolizin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-[4-(4-fluorophenyl)piperazine-1-carbonyl]-6,7,8,9-tetrahydroquinolizin-4-one?
The IUPAC name of 2-ethoxy-1-[4-(4-fluorophenyl)piperazine-1-carbonyl]-6,7,8,9-tetrahydroquinolizin-4-one (CID 91904477) is 2-ethoxy-1-[4-(4-fluorophenyl)piperazine-1-carbonyl]-6,7,8,9-tetrahydroquinolizin-4-one.
What is the SMILES notation for 2-ethoxy-1-[4-(4-fluorophenyl)piperazine-1-carbonyl]-6,7,8,9-tetrahydroquinolizin-4-one?
The canonical SMILES for 2-ethoxy-1-[4-(4-fluorophenyl)piperazine-1-carbonyl]-6,7,8,9-tetrahydroquinolizin-4-one is CCOc1cc(=O)n2c(c1C(=O)N1CCN(c3ccc(F)cc3)CC1)CCCC2.
What is the InChIKey of 2-ethoxy-1-[4-(4-fluorophenyl)piperazine-1-carbonyl]-6,7,8,9-tetrahydroquinolizin-4-one?
The InChIKey is WWABPNVEJWCDKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O3/c1-2-29-19-15-20(27)26-10-4-3-5-18(26)21(19)22(28)25-13-11-24(12-14-25)17-8-6-16(23)7-9-17/h6-9,15H,2-5,10-14H2,1H3.
What are the key properties of 2-ethoxy-1-[4-(4-fluorophenyl)piperazine-1-carbonyl]-6,7,8,9-tetrahydroquinolizin-4-one?
2-ethoxy-1-[4-(4-fluorophenyl)piperazine-1-carbonyl]-6,7,8,9-tetrahydroquinolizin-4-one has a molecular weight of 399.47 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-[4-(4-fluorophenyl)piperazine-1-carbonyl]-6,7,8,9-tetrahydroquinolizin-4-one is sourced from PubChem (CID 91904477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).