1-phenothiazin-10-yl-2-quinoxalin-2-ylsulfanylethanone

C22H15N3OS2 — CID 20788144

IUPAC1-phenothiazin-10-yl-2-quinoxalin-2-ylsulfanylethanone
SMILESO=C(CSc1cnc2ccccc2n1)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C22H15N3OS2/c26-22(14-27-21-13-23-15-7-1-2-8-16(15)24-21)25-17-9-3-5-11-19(17)28-20-12-6-4-10-18(20)25/h1-13H,14H2
InChIKeyRKTJPWMKEAQQHT-UHFFFAOYSA-N
MW401.52 g/mol
LogP5.55
Rot. Bonds3

About 1-phenothiazin-10-yl-2-quinoxalin-2-ylsulfanylethanone

1-phenothiazin-10-yl-2-quinoxalin-2-ylsulfanylethanone (PubChem CID 20788144) has the molecular formula C22H15N3OS2 and a molecular weight of 401.52 g/mol. Its IUPAC name is 1-phenothiazin-10-yl-2-quinoxalin-2-ylsulfanylethanone.

Molecular Properties

Compound Name1-phenothiazin-10-yl-2-quinoxalin-2-ylsulfanylethanone
PubChem CID20788144
Molecular FormulaC22H15N3OS2
Molecular Weight401.52 g/mol
Exact Mass401.07
IUPAC Name1-phenothiazin-10-yl-2-quinoxalin-2-ylsulfanylethanone
SMILESO=C(CSc1cnc2ccccc2n1)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C22H15N3OS2/c26-22(14-27-21-13-23-15-7-1-2-8-16(15)24-21)25-17-9-3-5-11-19(17)28-20-12-6-4-10-18(20)25/h1-13H,14H2
InChIKeyRKTJPWMKEAQQHT-UHFFFAOYSA-N
XLogP5.55
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.52
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-phenothiazin-10-yl-2-quinoxalin-2-ylsulfanylethanone?
The IUPAC name of 1-phenothiazin-10-yl-2-quinoxalin-2-ylsulfanylethanone (CID 20788144) is 1-phenothiazin-10-yl-2-quinoxalin-2-ylsulfanylethanone.
What is the SMILES notation for 1-phenothiazin-10-yl-2-quinoxalin-2-ylsulfanylethanone?
The canonical SMILES for 1-phenothiazin-10-yl-2-quinoxalin-2-ylsulfanylethanone is O=C(CSc1cnc2ccccc2n1)N1c2ccccc2Sc2ccccc21.
What is the InChIKey of 1-phenothiazin-10-yl-2-quinoxalin-2-ylsulfanylethanone?
The InChIKey is RKTJPWMKEAQQHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N3OS2/c26-22(14-27-21-13-23-15-7-1-2-8-16(15)24-21)25-17-9-3-5-11-19(17)28-20-12-6-4-10-18(20)25/h1-13H,14H2.
What are the key properties of 1-phenothiazin-10-yl-2-quinoxalin-2-ylsulfanylethanone?
1-phenothiazin-10-yl-2-quinoxalin-2-ylsulfanylethanone has a molecular weight of 401.52 g/mol, XLogP of 5.55, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenothiazin-10-yl-2-quinoxalin-2-ylsulfanylethanone is sourced from PubChem (CID 20788144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).