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

C19H16ClNO2S — CID 10689709

IUPAC7-chloro-2-(4-methoxyphenyl)-1,2,3,10-tetrahydrophenothiazin-4-one
SMILESCOc1ccc(C2CC(=O)C3=C(C2)Nc2ccc(Cl)cc2S3)cc1
InChIInChI=1S/C19H16ClNO2S/c1-23-14-5-2-11(3-6-14)12-8-16-19(17(22)9-12)24-18-10-13(20)4-7-15(18)21-16/h2-7,10,12,21H,8-9H2,1H3
InChIKeyGUASGQWGWRRKRK-UHFFFAOYSA-N
MW357.86 g/mol
LogP5.22
Rot. Bonds2

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

7-chloro-2-(4-methoxyphenyl)-1,2,3,10-tetrahydrophenothiazin-4-one (PubChem CID 10689709) has the molecular formula C19H16ClNO2S and a molecular weight of 357.86 g/mol. Its IUPAC name is 7-chloro-2-(4-methoxyphenyl)-1,2,3,10-tetrahydrophenothiazin-4-one.

Molecular Properties

Compound Name7-chloro-2-(4-methoxyphenyl)-1,2,3,10-tetrahydrophenothiazin-4-one
PubChem CID10689709
Molecular FormulaC19H16ClNO2S
Molecular Weight357.86 g/mol
Exact Mass357.06
IUPAC Name7-chloro-2-(4-methoxyphenyl)-1,2,3,10-tetrahydrophenothiazin-4-one
SMILESCOc1ccc(C2CC(=O)C3=C(C2)Nc2ccc(Cl)cc2S3)cc1
InChIInChI=1S/C19H16ClNO2S/c1-23-14-5-2-11(3-6-14)12-8-16-19(17(22)9-12)24-18-10-13(20)4-7-15(18)21-16/h2-7,10,12,21H,8-9H2,1H3
InChIKeyGUASGQWGWRRKRK-UHFFFAOYSA-N
XLogP5.22
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.86
LogP ≤ 55.22
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-chloro-2-(4-methoxyphenyl)-1,2,3,10-tetrahydrophenothiazin-4-one?
The IUPAC name of 7-chloro-2-(4-methoxyphenyl)-1,2,3,10-tetrahydrophenothiazin-4-one (CID 10689709) is 7-chloro-2-(4-methoxyphenyl)-1,2,3,10-tetrahydrophenothiazin-4-one.
What is the SMILES notation for 7-chloro-2-(4-methoxyphenyl)-1,2,3,10-tetrahydrophenothiazin-4-one?
The canonical SMILES for 7-chloro-2-(4-methoxyphenyl)-1,2,3,10-tetrahydrophenothiazin-4-one is COc1ccc(C2CC(=O)C3=C(C2)Nc2ccc(Cl)cc2S3)cc1.
What is the InChIKey of 7-chloro-2-(4-methoxyphenyl)-1,2,3,10-tetrahydrophenothiazin-4-one?
The InChIKey is GUASGQWGWRRKRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNO2S/c1-23-14-5-2-11(3-6-14)12-8-16-19(17(22)9-12)24-18-10-13(20)4-7-15(18)21-16/h2-7,10,12,21H,8-9H2,1H3.
What are the key properties of 7-chloro-2-(4-methoxyphenyl)-1,2,3,10-tetrahydrophenothiazin-4-one?
7-chloro-2-(4-methoxyphenyl)-1,2,3,10-tetrahydrophenothiazin-4-one has a molecular weight of 357.86 g/mol, XLogP of 5.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-(4-methoxyphenyl)-1,2,3,10-tetrahydrophenothiazin-4-one is sourced from PubChem (CID 10689709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).