7-fluoro-2-(3-methoxyphenyl)-1,2,3,10-tetrahydrophenothiazin-4-one

C19H16FNO2S — CID 10569214

IUPAC7-fluoro-2-(3-methoxyphenyl)-1,2,3,10-tetrahydrophenothiazin-4-one
SMILESCOc1cccc(C2CC(=O)C3=C(C2)Nc2ccc(F)cc2S3)c1
InChIInChI=1S/C19H16FNO2S/c1-23-14-4-2-3-11(7-14)12-8-16-19(17(22)9-12)24-18-10-13(20)5-6-15(18)21-16/h2-7,10,12,21H,8-9H2,1H3
InChIKeyLOVUIVDSHUULTG-UHFFFAOYSA-N
MW341.41 g/mol
LogP4.71
Rot. Bonds2

About 7-fluoro-2-(3-methoxyphenyl)-1,2,3,10-tetrahydrophenothiazin-4-one

7-fluoro-2-(3-methoxyphenyl)-1,2,3,10-tetrahydrophenothiazin-4-one (PubChem CID 10569214) has the molecular formula C19H16FNO2S and a molecular weight of 341.41 g/mol. Its IUPAC name is 7-fluoro-2-(3-methoxyphenyl)-1,2,3,10-tetrahydrophenothiazin-4-one.

Molecular Properties

Compound Name7-fluoro-2-(3-methoxyphenyl)-1,2,3,10-tetrahydrophenothiazin-4-one
PubChem CID10569214
Molecular FormulaC19H16FNO2S
Molecular Weight341.41 g/mol
Exact Mass341.09
IUPAC Name7-fluoro-2-(3-methoxyphenyl)-1,2,3,10-tetrahydrophenothiazin-4-one
SMILESCOc1cccc(C2CC(=O)C3=C(C2)Nc2ccc(F)cc2S3)c1
InChIInChI=1S/C19H16FNO2S/c1-23-14-4-2-3-11(7-14)12-8-16-19(17(22)9-12)24-18-10-13(20)5-6-15(18)21-16/h2-7,10,12,21H,8-9H2,1H3
InChIKeyLOVUIVDSHUULTG-UHFFFAOYSA-N
XLogP4.71
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_thio_66_one(8)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-(3-methoxyphenyl)-1,2,3,10-tetrahydrophenothiazin-4-one?
The IUPAC name of 7-fluoro-2-(3-methoxyphenyl)-1,2,3,10-tetrahydrophenothiazin-4-one (CID 10569214) is 7-fluoro-2-(3-methoxyphenyl)-1,2,3,10-tetrahydrophenothiazin-4-one.
What is the SMILES notation for 7-fluoro-2-(3-methoxyphenyl)-1,2,3,10-tetrahydrophenothiazin-4-one?
The canonical SMILES for 7-fluoro-2-(3-methoxyphenyl)-1,2,3,10-tetrahydrophenothiazin-4-one is COc1cccc(C2CC(=O)C3=C(C2)Nc2ccc(F)cc2S3)c1.
What is the InChIKey of 7-fluoro-2-(3-methoxyphenyl)-1,2,3,10-tetrahydrophenothiazin-4-one?
The InChIKey is LOVUIVDSHUULTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FNO2S/c1-23-14-4-2-3-11(7-14)12-8-16-19(17(22)9-12)24-18-10-13(20)5-6-15(18)21-16/h2-7,10,12,21H,8-9H2,1H3.
What are the key properties of 7-fluoro-2-(3-methoxyphenyl)-1,2,3,10-tetrahydrophenothiazin-4-one?
7-fluoro-2-(3-methoxyphenyl)-1,2,3,10-tetrahydrophenothiazin-4-one has a molecular weight of 341.41 g/mol, XLogP of 4.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2-(3-methoxyphenyl)-1,2,3,10-tetrahydrophenothiazin-4-one is sourced from PubChem (CID 10569214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).