9-(morpholine-4-carbonyl)-7-phenyl-4H-thieno[2,3-a]indolizin-6-one

C21H18N2O3S — CID 3072289

IUPAC9-(morpholine-4-carbonyl)-7-phenyl-4H-thieno[2,3-a]indolizin-6-one
SMILESO=C(c1cc(-c2ccccc2)c(=O)n2c1-c1sccc1C2)N1CCOCC1
InChIInChI=1S/C21H18N2O3S/c24-20(22-7-9-26-10-8-22)17-12-16(14-4-2-1-3-5-14)21(25)23-13-15-6-11-27-19(15)18(17)23/h1-6,11-12H,7-10,13H2
InChIKeyAXTSZVLBKKQEOK-UHFFFAOYSA-N
MW378.45 g/mol
LogP3.08
Rot. Bonds2

About 9-(morpholine-4-carbonyl)-7-phenyl-4H-thieno[2,3-a]indolizin-6-one

9-(morpholine-4-carbonyl)-7-phenyl-4H-thieno[2,3-a]indolizin-6-one (PubChem CID 3072289) has the molecular formula C21H18N2O3S and a molecular weight of 378.45 g/mol. Its IUPAC name is 9-(morpholine-4-carbonyl)-7-phenyl-4H-thieno[2,3-a]indolizin-6-one.

Molecular Properties

Compound Name9-(morpholine-4-carbonyl)-7-phenyl-4H-thieno[2,3-a]indolizin-6-one
PubChem CID3072289
Molecular FormulaC21H18N2O3S
Molecular Weight378.45 g/mol
Exact Mass378.10
IUPAC Name9-(morpholine-4-carbonyl)-7-phenyl-4H-thieno[2,3-a]indolizin-6-one
SMILESO=C(c1cc(-c2ccccc2)c(=O)n2c1-c1sccc1C2)N1CCOCC1
InChIInChI=1S/C21H18N2O3S/c24-20(22-7-9-26-10-8-22)17-12-16(14-4-2-1-3-5-14)21(25)23-13-15-6-11-27-19(15)18(17)23/h1-6,11-12H,7-10,13H2
InChIKeyAXTSZVLBKKQEOK-UHFFFAOYSA-N
XLogP3.08
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-(morpholine-4-carbonyl)-7-phenyl-4H-thieno[2,3-a]indolizin-6-one?
The IUPAC name of 9-(morpholine-4-carbonyl)-7-phenyl-4H-thieno[2,3-a]indolizin-6-one (CID 3072289) is 9-(morpholine-4-carbonyl)-7-phenyl-4H-thieno[2,3-a]indolizin-6-one.
What is the SMILES notation for 9-(morpholine-4-carbonyl)-7-phenyl-4H-thieno[2,3-a]indolizin-6-one?
The canonical SMILES for 9-(morpholine-4-carbonyl)-7-phenyl-4H-thieno[2,3-a]indolizin-6-one is O=C(c1cc(-c2ccccc2)c(=O)n2c1-c1sccc1C2)N1CCOCC1.
What is the InChIKey of 9-(morpholine-4-carbonyl)-7-phenyl-4H-thieno[2,3-a]indolizin-6-one?
The InChIKey is AXTSZVLBKKQEOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O3S/c24-20(22-7-9-26-10-8-22)17-12-16(14-4-2-1-3-5-14)21(25)23-13-15-6-11-27-19(15)18(17)23/h1-6,11-12H,7-10,13H2.
What are the key properties of 9-(morpholine-4-carbonyl)-7-phenyl-4H-thieno[2,3-a]indolizin-6-one?
9-(morpholine-4-carbonyl)-7-phenyl-4H-thieno[2,3-a]indolizin-6-one has a molecular weight of 378.45 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(morpholine-4-carbonyl)-7-phenyl-4H-thieno[2,3-a]indolizin-6-one is sourced from PubChem (CID 3072289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).