(2-methoxyphenothiazin-10-yl)-(4-methoxyphenyl)methanone

C21H17NO3S — CID 53309413

IUPAC(2-methoxyphenothiazin-10-yl)-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2c3ccccc3Sc3ccc(OC)cc32)cc1
InChIInChI=1S/C21H17NO3S/c1-24-15-9-7-14(8-10-15)21(23)22-17-5-3-4-6-19(17)26-20-12-11-16(25-2)13-18(20)22/h3-13H,1-2H3
InChIKeyNICSWFSRGKZRGI-UHFFFAOYSA-N
MW363.44 g/mol
LogP5.15
Rot. Bonds3

About (2-methoxyphenothiazin-10-yl)-(4-methoxyphenyl)methanone

(2-methoxyphenothiazin-10-yl)-(4-methoxyphenyl)methanone (PubChem CID 53309413) has the molecular formula C21H17NO3S and a molecular weight of 363.44 g/mol. Its IUPAC name is (2-methoxyphenothiazin-10-yl)-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name(2-methoxyphenothiazin-10-yl)-(4-methoxyphenyl)methanone
PubChem CID53309413
Molecular FormulaC21H17NO3S
Molecular Weight363.44 g/mol
Exact Mass363.09
IUPAC Name(2-methoxyphenothiazin-10-yl)-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2c3ccccc3Sc3ccc(OC)cc32)cc1
InChIInChI=1S/C21H17NO3S/c1-24-15-9-7-14(8-10-15)21(23)22-17-5-3-4-6-19(17)26-20-12-11-16(25-2)13-18(20)22/h3-13H,1-2H3
InChIKeyNICSWFSRGKZRGI-UHFFFAOYSA-N
XLogP5.15
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.44
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenothiazin-10-yl)-(4-methoxyphenyl)methanone?
The IUPAC name of (2-methoxyphenothiazin-10-yl)-(4-methoxyphenyl)methanone (CID 53309413) is (2-methoxyphenothiazin-10-yl)-(4-methoxyphenyl)methanone.
What is the SMILES notation for (2-methoxyphenothiazin-10-yl)-(4-methoxyphenyl)methanone?
The canonical SMILES for (2-methoxyphenothiazin-10-yl)-(4-methoxyphenyl)methanone is COc1ccc(C(=O)N2c3ccccc3Sc3ccc(OC)cc32)cc1.
What is the InChIKey of (2-methoxyphenothiazin-10-yl)-(4-methoxyphenyl)methanone?
The InChIKey is NICSWFSRGKZRGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO3S/c1-24-15-9-7-14(8-10-15)21(23)22-17-5-3-4-6-19(17)26-20-12-11-16(25-2)13-18(20)22/h3-13H,1-2H3.
What are the key properties of (2-methoxyphenothiazin-10-yl)-(4-methoxyphenyl)methanone?
(2-methoxyphenothiazin-10-yl)-(4-methoxyphenyl)methanone has a molecular weight of 363.44 g/mol, XLogP of 5.15, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenothiazin-10-yl)-(4-methoxyphenyl)methanone is sourced from PubChem (CID 53309413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).