(1-oxo-1-phenothiazin-10-ylpropan-2-yl) quinoxaline-5-carboxylate

C24H17N3O3S — CID 23803142

IUPAC(1-oxo-1-phenothiazin-10-ylpropan-2-yl) quinoxaline-5-carboxylate
SMILESCC(OC(=O)c1cccc2nccnc12)C(=O)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C24H17N3O3S/c1-15(30-24(29)16-7-6-8-17-22(16)26-14-13-25-17)23(28)27-18-9-2-4-11-20(18)31-21-12-5-3-10-19(21)27/h2-15H,1H3
InChIKeyRCBWSHIDMNBHDN-UHFFFAOYSA-N
MW427.49 g/mol
LogP5.00
Rot. Bonds3

About (1-oxo-1-phenothiazin-10-ylpropan-2-yl) quinoxaline-5-carboxylate

(1-oxo-1-phenothiazin-10-ylpropan-2-yl) quinoxaline-5-carboxylate (PubChem CID 23803142) has the molecular formula C24H17N3O3S and a molecular weight of 427.49 g/mol. Its IUPAC name is (1-oxo-1-phenothiazin-10-ylpropan-2-yl) quinoxaline-5-carboxylate.

Molecular Properties

Compound Name(1-oxo-1-phenothiazin-10-ylpropan-2-yl) quinoxaline-5-carboxylate
PubChem CID23803142
Molecular FormulaC24H17N3O3S
Molecular Weight427.49 g/mol
Exact Mass427.10
IUPAC Name(1-oxo-1-phenothiazin-10-ylpropan-2-yl) quinoxaline-5-carboxylate
SMILESCC(OC(=O)c1cccc2nccnc12)C(=O)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C24H17N3O3S/c1-15(30-24(29)16-7-6-8-17-22(16)26-14-13-25-17)23(28)27-18-9-2-4-11-20(18)31-21-12-5-3-10-19(21)27/h2-15H,1H3
InChIKeyRCBWSHIDMNBHDN-UHFFFAOYSA-N
XLogP5.00
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.49
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(1-oxo-1-phenothiazin-10-ylpropan-2-yl) 2-(1H-benzimidazol-2-yl)benzoate
CID 23803140
[1-(2-methoxycarbonylanilino)-1-oxopropan-2-yl] quinoxaline-5-carboxylate
CID 23803011
[1-(2-ethoxyanilino)-1-oxopropan-2-yl] quinoxaline-5-carboxylate
CID 23943940
[1-(3-methylanilino)-1-oxopropan-2-yl] quinoxaline-5-carboxylate
CID 23971966
[(2R)-1-(2-chlorophenothiazin-10-yl)-1-oxopropan-2-yl] acetate
CID 9119323
[1-(4-carbamoylanilino)-1-oxopropan-2-yl] quinoxaline-5-carboxylate
CID 23916006
[1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] quinoxaline-5-carboxylate
CID 23916064
[(2R)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] quinoline-8-carboxylate
CID 9061813
(4-propan-2-ylphenyl)-quinoxalin-5-ylmethanone
CID 105097599
2-(2,4-dichlorophenoxy)-1-phenothiazin-10-ylpropan-1-one
CID 2898826
[1-(4-ethoxycarbonylanilino)-1-oxobutan-2-yl] quinoxaline-5-carboxylate
CID 23888262
2,2-dimethyl-1-phenothiazin-10-ylpropan-1-one;methane
CID 158923820

Frequently Asked Questions

What is the IUPAC name of (1-oxo-1-phenothiazin-10-ylpropan-2-yl) quinoxaline-5-carboxylate?
The IUPAC name of (1-oxo-1-phenothiazin-10-ylpropan-2-yl) quinoxaline-5-carboxylate (CID 23803142) is (1-oxo-1-phenothiazin-10-ylpropan-2-yl) quinoxaline-5-carboxylate.
What is the SMILES notation for (1-oxo-1-phenothiazin-10-ylpropan-2-yl) quinoxaline-5-carboxylate?
The canonical SMILES for (1-oxo-1-phenothiazin-10-ylpropan-2-yl) quinoxaline-5-carboxylate is CC(OC(=O)c1cccc2nccnc12)C(=O)N1c2ccccc2Sc2ccccc21.
What is the InChIKey of (1-oxo-1-phenothiazin-10-ylpropan-2-yl) quinoxaline-5-carboxylate?
The InChIKey is RCBWSHIDMNBHDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N3O3S/c1-15(30-24(29)16-7-6-8-17-22(16)26-14-13-25-17)23(28)27-18-9-2-4-11-20(18)31-21-12-5-3-10-19(21)27/h2-15H,1H3.
What are the key properties of (1-oxo-1-phenothiazin-10-ylpropan-2-yl) quinoxaline-5-carboxylate?
(1-oxo-1-phenothiazin-10-ylpropan-2-yl) quinoxaline-5-carboxylate has a molecular weight of 427.49 g/mol, XLogP of 5.00, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-oxo-1-phenothiazin-10-ylpropan-2-yl) quinoxaline-5-carboxylate is sourced from PubChem (CID 23803142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).