8-(3-fluorophenyl)-10-(morpholine-4-carbonyl)-4,5-dihydrothieno[2,3-a]quinolizin-7-one

C22H19FN2O3S — CID 19020492

IUPAC8-(3-fluorophenyl)-10-(morpholine-4-carbonyl)-4,5-dihydrothieno[2,3-a]quinolizin-7-one
SMILESO=C(c1cc(-c2cccc(F)c2)c(=O)n2c1-c1sccc1CC2)N1CCOCC1
InChIInChI=1S/C22H19FN2O3S/c23-16-3-1-2-15(12-16)17-13-18(21(26)24-7-9-28-10-8-24)19-20-14(5-11-29-20)4-6-25(19)22(17)27/h1-3,5,11-13H,4,6-10H2
InChIKeyMOMMMCWHODZELV-UHFFFAOYSA-N
MW410.47 g/mol
LogP3.41
Rot. Bonds2

About 8-(3-fluorophenyl)-10-(morpholine-4-carbonyl)-4,5-dihydrothieno[2,3-a]quinolizin-7-one

8-(3-fluorophenyl)-10-(morpholine-4-carbonyl)-4,5-dihydrothieno[2,3-a]quinolizin-7-one (PubChem CID 19020492) has the molecular formula C22H19FN2O3S and a molecular weight of 410.47 g/mol. Its IUPAC name is 8-(3-fluorophenyl)-10-(morpholine-4-carbonyl)-4,5-dihydrothieno[2,3-a]quinolizin-7-one.

Molecular Properties

Compound Name8-(3-fluorophenyl)-10-(morpholine-4-carbonyl)-4,5-dihydrothieno[2,3-a]quinolizin-7-one
PubChem CID19020492
Molecular FormulaC22H19FN2O3S
Molecular Weight410.47 g/mol
Exact Mass410.11
IUPAC Name8-(3-fluorophenyl)-10-(morpholine-4-carbonyl)-4,5-dihydrothieno[2,3-a]quinolizin-7-one
SMILESO=C(c1cc(-c2cccc(F)c2)c(=O)n2c1-c1sccc1CC2)N1CCOCC1
InChIInChI=1S/C22H19FN2O3S/c23-16-3-1-2-15(12-16)17-13-18(21(26)24-7-9-28-10-8-24)19-20-14(5-11-29-20)4-6-25(19)22(17)27/h1-3,5,11-13H,4,6-10H2
InChIKeyMOMMMCWHODZELV-UHFFFAOYSA-N
XLogP3.41
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(3-fluorophenyl)-10-(morpholine-4-carbonyl)-4,5-dihydrothieno[2,3-a]quinolizin-7-one?
The IUPAC name of 8-(3-fluorophenyl)-10-(morpholine-4-carbonyl)-4,5-dihydrothieno[2,3-a]quinolizin-7-one (CID 19020492) is 8-(3-fluorophenyl)-10-(morpholine-4-carbonyl)-4,5-dihydrothieno[2,3-a]quinolizin-7-one.
What is the SMILES notation for 8-(3-fluorophenyl)-10-(morpholine-4-carbonyl)-4,5-dihydrothieno[2,3-a]quinolizin-7-one?
The canonical SMILES for 8-(3-fluorophenyl)-10-(morpholine-4-carbonyl)-4,5-dihydrothieno[2,3-a]quinolizin-7-one is O=C(c1cc(-c2cccc(F)c2)c(=O)n2c1-c1sccc1CC2)N1CCOCC1.
What is the InChIKey of 8-(3-fluorophenyl)-10-(morpholine-4-carbonyl)-4,5-dihydrothieno[2,3-a]quinolizin-7-one?
The InChIKey is MOMMMCWHODZELV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN2O3S/c23-16-3-1-2-15(12-16)17-13-18(21(26)24-7-9-28-10-8-24)19-20-14(5-11-29-20)4-6-25(19)22(17)27/h1-3,5,11-13H,4,6-10H2.
What are the key properties of 8-(3-fluorophenyl)-10-(morpholine-4-carbonyl)-4,5-dihydrothieno[2,3-a]quinolizin-7-one?
8-(3-fluorophenyl)-10-(morpholine-4-carbonyl)-4,5-dihydrothieno[2,3-a]quinolizin-7-one has a molecular weight of 410.47 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-fluorophenyl)-10-(morpholine-4-carbonyl)-4,5-dihydrothieno[2,3-a]quinolizin-7-one is sourced from PubChem (CID 19020492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).