7-chloro-2-phenyl-1,2,3,10-tetrahydrophenothiazin-4-one

C18H14ClNOS — CID 10782475

IUPAC7-chloro-2-phenyl-1,2,3,10-tetrahydrophenothiazin-4-one
SMILESO=C1CC(c2ccccc2)CC2=C1Sc1cc(Cl)ccc1N2
InChIInChI=1S/C18H14ClNOS/c19-13-6-7-14-17(10-13)22-18-15(20-14)8-12(9-16(18)21)11-4-2-1-3-5-11/h1-7,10,12,20H,8-9H2
InChIKeyMBZKWTIRQYBDQW-UHFFFAOYSA-N
MW327.84 g/mol
LogP5.22
Rot. Bonds1

About 7-chloro-2-phenyl-1,2,3,10-tetrahydrophenothiazin-4-one

7-chloro-2-phenyl-1,2,3,10-tetrahydrophenothiazin-4-one (PubChem CID 10782475) has the molecular formula C18H14ClNOS and a molecular weight of 327.84 g/mol. Its IUPAC name is 7-chloro-2-phenyl-1,2,3,10-tetrahydrophenothiazin-4-one.

Molecular Properties

Compound Name7-chloro-2-phenyl-1,2,3,10-tetrahydrophenothiazin-4-one
PubChem CID10782475
Molecular FormulaC18H14ClNOS
Molecular Weight327.84 g/mol
Exact Mass327.05
IUPAC Name7-chloro-2-phenyl-1,2,3,10-tetrahydrophenothiazin-4-one
SMILESO=C1CC(c2ccccc2)CC2=C1Sc1cc(Cl)ccc1N2
InChIInChI=1S/C18H14ClNOS/c19-13-6-7-14-17(10-13)22-18-15(20-14)8-12(9-16(18)21)11-4-2-1-3-5-11/h1-7,10,12,20H,8-9H2
InChIKeyMBZKWTIRQYBDQW-UHFFFAOYSA-N
XLogP5.22
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.84
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-phenyl-1,2,3,10-tetrahydrophenothiazin-4-one?
The IUPAC name of 7-chloro-2-phenyl-1,2,3,10-tetrahydrophenothiazin-4-one (CID 10782475) is 7-chloro-2-phenyl-1,2,3,10-tetrahydrophenothiazin-4-one.
What is the SMILES notation for 7-chloro-2-phenyl-1,2,3,10-tetrahydrophenothiazin-4-one?
The canonical SMILES for 7-chloro-2-phenyl-1,2,3,10-tetrahydrophenothiazin-4-one is O=C1CC(c2ccccc2)CC2=C1Sc1cc(Cl)ccc1N2.
What is the InChIKey of 7-chloro-2-phenyl-1,2,3,10-tetrahydrophenothiazin-4-one?
The InChIKey is MBZKWTIRQYBDQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClNOS/c19-13-6-7-14-17(10-13)22-18-15(20-14)8-12(9-16(18)21)11-4-2-1-3-5-11/h1-7,10,12,20H,8-9H2.
What are the key properties of 7-chloro-2-phenyl-1,2,3,10-tetrahydrophenothiazin-4-one?
7-chloro-2-phenyl-1,2,3,10-tetrahydrophenothiazin-4-one has a molecular weight of 327.84 g/mol, XLogP of 5.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-phenyl-1,2,3,10-tetrahydrophenothiazin-4-one is sourced from PubChem (CID 10782475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).