pyrido[3,2-a]phenothiazin-5-one

C15H8N2OS — CID 10378116

IUPACpyrido[3,2-a]phenothiazin-5-one
SMILESO=c1cc2sc3ccccc3nc-2c2cccnc12
InChIInChI=1S/C15H8N2OS/c18-11-8-13-15(9-4-3-7-16-14(9)11)17-10-5-1-2-6-12(10)19-13/h1-8H
InChIKeyXVULXICEZDPLLK-UHFFFAOYSA-N
MW264.31 g/mol
LogP3.31
Rot. Bonds

About pyrido[3,2-a]phenothiazin-5-one

pyrido[3,2-a]phenothiazin-5-one (PubChem CID 10378116) has the molecular formula C15H8N2OS and a molecular weight of 264.31 g/mol. Its IUPAC name is pyrido[3,2-a]phenothiazin-5-one.

Molecular Properties

Compound Namepyrido[3,2-a]phenothiazin-5-one
PubChem CID10378116
Molecular FormulaC15H8N2OS
Molecular Weight264.31 g/mol
Exact Mass264.04
IUPAC Namepyrido[3,2-a]phenothiazin-5-one
SMILESO=c1cc2sc3ccccc3nc-2c2cccnc12
InChIInChI=1S/C15H8N2OS/c18-11-8-13-15(9-4-3-7-16-14(9)11)17-10-5-1-2-6-12(10)19-13/h1-8H
InChIKeyXVULXICEZDPLLK-UHFFFAOYSA-N
XLogP3.31
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-pyridin-2-yl-4H-1,3-benzothiazin-4-one
CID 9837640
(E)-3-Phenyl-1-(pyridin-2-yl)prop-2-en-1-one
CID 5354119
6-Phenylpyrrolo[2,1-d][1,5]benzothiazepin-7-one
CID 384831
2-Pyridin-3-Yl-1,3-Benzothiazin-4-One
CID 9834654
6-Methyl-6-phenyl-pyrrolo[2,1-d][1,5]benzothiazepin-7-one
CID 384833
2-Methyl-1-(2-oxo-2-phenylethyl)-5-[2-(phenylthio)ethyl]pyridinium bromide
CID 2894365
1-Phenyl-3-(2-pyridinylsulfanyl)-1-propanone
CID 3847697
1,1-Dioxo-2-pyridin-3-yl-1H-1lambda*6*-thiochromen-4-one
CID 44347575
6-Phenyl-6-prop-2-enylpyrrolo[2,1-d][1,5]benzothiazepin-7-one
CID 122187504
5,8-Quinolinedione, 6,7-bis(phenylthio)-
CID 5279429
6-Amino-7-(methylsulfanyl)quinoline-5,8-dione
CID 255967
(E)-3-(3-Methyl-thiophen-2-yl)-1-pyridin-2-yl-propenone
CID 10036789

Frequently Asked Questions

What is the IUPAC name of pyrido[3,2-a]phenothiazin-5-one?
The IUPAC name of pyrido[3,2-a]phenothiazin-5-one (CID 10378116) is pyrido[3,2-a]phenothiazin-5-one.
What is the SMILES notation for pyrido[3,2-a]phenothiazin-5-one?
The canonical SMILES for pyrido[3,2-a]phenothiazin-5-one is O=c1cc2sc3ccccc3nc-2c2cccnc12.
What is the InChIKey of pyrido[3,2-a]phenothiazin-5-one?
The InChIKey is XVULXICEZDPLLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8N2OS/c18-11-8-13-15(9-4-3-7-16-14(9)11)17-10-5-1-2-6-12(10)19-13/h1-8H.
What are the key properties of pyrido[3,2-a]phenothiazin-5-one?
pyrido[3,2-a]phenothiazin-5-one has a molecular weight of 264.31 g/mol, XLogP of 3.31, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyrido[3,2-a]phenothiazin-5-one is sourced from PubChem (CID 10378116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).