(7-oxo-8-phenyl-4,5-dihydrothieno[2,3-a]quinolizin-10-yl)methyl morpholine-4-carboxylate

C23H22N2O4S — CID 14666700

IUPAC(7-oxo-8-phenyl-4,5-dihydrothieno[2,3-a]quinolizin-10-yl)methyl morpholine-4-carboxylate
SMILESO=C(OCc1cc(-c2ccccc2)c(=O)n2c1-c1sccc1CC2)N1CCOCC1
InChIInChI=1S/C23H22N2O4S/c26-22-19(16-4-2-1-3-5-16)14-18(15-29-23(27)24-9-11-28-12-10-24)20-21-17(7-13-30-21)6-8-25(20)22/h1-5,7,13-14H,6,8-12,15H2
InChIKeyPOFWONKFEASDLB-UHFFFAOYSA-N
MW422.51 g/mol
LogP3.77
Rot. Bonds3

About (7-oxo-8-phenyl-4,5-dihydrothieno[2,3-a]quinolizin-10-yl)methyl morpholine-4-carboxylate

(7-oxo-8-phenyl-4,5-dihydrothieno[2,3-a]quinolizin-10-yl)methyl morpholine-4-carboxylate (PubChem CID 14666700) has the molecular formula C23H22N2O4S and a molecular weight of 422.51 g/mol. Its IUPAC name is (7-oxo-8-phenyl-4,5-dihydrothieno[2,3-a]quinolizin-10-yl)methyl morpholine-4-carboxylate.

Molecular Properties

Compound Name(7-oxo-8-phenyl-4,5-dihydrothieno[2,3-a]quinolizin-10-yl)methyl morpholine-4-carboxylate
PubChem CID14666700
Molecular FormulaC23H22N2O4S
Molecular Weight422.51 g/mol
Exact Mass422.13
IUPAC Name(7-oxo-8-phenyl-4,5-dihydrothieno[2,3-a]quinolizin-10-yl)methyl morpholine-4-carboxylate
SMILESO=C(OCc1cc(-c2ccccc2)c(=O)n2c1-c1sccc1CC2)N1CCOCC1
InChIInChI=1S/C23H22N2O4S/c26-22-19(16-4-2-1-3-5-16)14-18(15-29-23(27)24-9-11-28-12-10-24)20-21-17(7-13-30-21)6-8-25(20)22/h1-5,7,13-14H,6,8-12,15H2
InChIKeyPOFWONKFEASDLB-UHFFFAOYSA-N
XLogP3.77
TPSA60.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.51
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Morpholine, 4-((4,6-dihydro-6-oxo-7-phenylthieno(2,3-a)indolizin-9-yl)carbonyl)-
CID 3072289
Methyl 8-(3-fluorophenyl)-7-oxo-4,5-dihydrothieno[2,3-a]quinolizine-10-carboxylate
CID 14770029
[8-(3-Fluorophenyl)-7-oxo-4,5-dihydrothieno[2,3-a]quinolizin-10-yl] methyl carbonate
CID 17993308
tert-butyl 8-(m-fluorophenyl)-4,5-dihydro-7-oxo-7H-thieno[2,3-a]quinolizine-10-carboxylate
CID 19020443
8-(3-Fluorophenyl)-10-(morpholine-4-carbonyl)-4,5-dihydrothieno[2,3-a]quinolizin-7-one
CID 19020492
Tert-butyl [8-(3-fluorophenyl)-7-oxo-4,5-dihydrothieno[2,3-a]quinolizin-10-yl] carbonate
CID 70352670
Methyl 8-(2-fluorophenyl)-7-oxo-4,5-dihydrothieno[2,3-a]quinolizine-10-carboxylate
CID 152510654
Methyl 8-(4-fluorophenyl)-7-oxo-4,5-dihydrothieno[2,3-a]quinolizine-10-carboxylate
CID 174256329
methyl 4,5-dihydro-7-oxo-8-phenyl-7H-thieno[2,3-a]quinolizine-10-carboxylate
CID 14666687
4,5-dihydro-7-oxo-8-phenyl-7H-thieno[2,3-a]quinolizine-10-carboxylic acid
CID 14666689
10-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-8-phenyl-4,5-dihydrothieno[2,3-a]quinolizin-7-one
CID 14666691
10-(Morpholine-4-carbonyl)-8-phenyl-4,5-dihydrothieno[2,3-a]quinolizin-7-one
CID 14666692

Frequently Asked Questions

What is the IUPAC name of (7-oxo-8-phenyl-4,5-dihydrothieno[2,3-a]quinolizin-10-yl)methyl morpholine-4-carboxylate?
The IUPAC name of (7-oxo-8-phenyl-4,5-dihydrothieno[2,3-a]quinolizin-10-yl)methyl morpholine-4-carboxylate (CID 14666700) is (7-oxo-8-phenyl-4,5-dihydrothieno[2,3-a]quinolizin-10-yl)methyl morpholine-4-carboxylate.
What is the SMILES notation for (7-oxo-8-phenyl-4,5-dihydrothieno[2,3-a]quinolizin-10-yl)methyl morpholine-4-carboxylate?
The canonical SMILES for (7-oxo-8-phenyl-4,5-dihydrothieno[2,3-a]quinolizin-10-yl)methyl morpholine-4-carboxylate is O=C(OCc1cc(-c2ccccc2)c(=O)n2c1-c1sccc1CC2)N1CCOCC1.
What is the InChIKey of (7-oxo-8-phenyl-4,5-dihydrothieno[2,3-a]quinolizin-10-yl)methyl morpholine-4-carboxylate?
The InChIKey is POFWONKFEASDLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O4S/c26-22-19(16-4-2-1-3-5-16)14-18(15-29-23(27)24-9-11-28-12-10-24)20-21-17(7-13-30-21)6-8-25(20)22/h1-5,7,13-14H,6,8-12,15H2.
What are the key properties of (7-oxo-8-phenyl-4,5-dihydrothieno[2,3-a]quinolizin-10-yl)methyl morpholine-4-carboxylate?
(7-oxo-8-phenyl-4,5-dihydrothieno[2,3-a]quinolizin-10-yl)methyl morpholine-4-carboxylate has a molecular weight of 422.51 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7-oxo-8-phenyl-4,5-dihydrothieno[2,3-a]quinolizin-10-yl)methyl morpholine-4-carboxylate is sourced from PubChem (CID 14666700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).