(2,4-dimethoxyphenyl)-phenothiazin-10-ylmethanone

C21H17NO3S — CID 3478672

IUPAC(2,4-dimethoxyphenyl)-phenothiazin-10-ylmethanone
SMILESCOc1ccc(C(=O)N2c3ccccc3Sc3ccccc32)c(OC)c1
InChIInChI=1S/C21H17NO3S/c1-24-14-11-12-15(18(13-14)25-2)21(23)22-16-7-3-5-9-19(16)26-20-10-6-4-8-17(20)22/h3-13H,1-2H3
InChIKeyRHZQEHJCZKAKBR-UHFFFAOYSA-N
MW363.44 g/mol
LogP5.15
Rot. Bonds3

About (2,4-dimethoxyphenyl)-phenothiazin-10-ylmethanone

(2,4-dimethoxyphenyl)-phenothiazin-10-ylmethanone (PubChem CID 3478672) has the molecular formula C21H17NO3S and a molecular weight of 363.44 g/mol. Its IUPAC name is (2,4-dimethoxyphenyl)-phenothiazin-10-ylmethanone.

Molecular Properties

Compound Name(2,4-dimethoxyphenyl)-phenothiazin-10-ylmethanone
PubChem CID3478672
Molecular FormulaC21H17NO3S
Molecular Weight363.44 g/mol
Exact Mass363.09
IUPAC Name(2,4-dimethoxyphenyl)-phenothiazin-10-ylmethanone
SMILESCOc1ccc(C(=O)N2c3ccccc3Sc3ccccc32)c(OC)c1
InChIInChI=1S/C21H17NO3S/c1-24-14-11-12-15(18(13-14)25-2)21(23)22-16-7-3-5-9-19(16)26-20-10-6-4-8-17(20)22/h3-13H,1-2H3
InChIKeyRHZQEHJCZKAKBR-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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Related Compounds

2,6-dimethoxy-N-(2-phenylsulfanylphenyl)benzamide
CID 1007805
ethyl 2-(10H-phenothiazin-10-ylcarbonyl)phenyl ether
CID 753236
(2-methoxyphenyl)(10H-phenothiazin-10-yl)methanone
CID 695276
4-Methoxyphenyl phenothiazin-10-yl ketone
CID 1237217
Methyl 4-(3-phenothiazin-10-ylpropanoyloxy)benzoate
CID 2395117
4-benzyl-N-[2-(2,4-dimethoxyphenyl)ethyl]-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
CID 20876251
(2-Methoxyphenothiazin-10-yl)-(4-methoxyphenyl)methanone
CID 53309413
(5,5-Dioxophenothiazin-10-yl)-(4-methoxyphenyl)methanone
CID 53309562
(3-Fluoro-4-methoxyphenyl)-phenothiazin-10-ylmethanone
CID 71517521
(3-Amino-4-methoxyphenyl)-phenothiazin-10-ylmethanone
CID 71517522
(2-Fluoro-4-methoxyphenyl)-phenothiazin-10-ylmethanone
CID 127053173
[4-Methoxy-2-(trifluoromethyl)phenyl]-phenothiazin-10-ylmethanone
CID 127053174

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethoxyphenyl)-phenothiazin-10-ylmethanone?
The IUPAC name of (2,4-dimethoxyphenyl)-phenothiazin-10-ylmethanone (CID 3478672) is (2,4-dimethoxyphenyl)-phenothiazin-10-ylmethanone.
What is the SMILES notation for (2,4-dimethoxyphenyl)-phenothiazin-10-ylmethanone?
The canonical SMILES for (2,4-dimethoxyphenyl)-phenothiazin-10-ylmethanone is COc1ccc(C(=O)N2c3ccccc3Sc3ccccc32)c(OC)c1.
What is the InChIKey of (2,4-dimethoxyphenyl)-phenothiazin-10-ylmethanone?
The InChIKey is RHZQEHJCZKAKBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO3S/c1-24-14-11-12-15(18(13-14)25-2)21(23)22-16-7-3-5-9-19(16)26-20-10-6-4-8-17(20)22/h3-13H,1-2H3.
What are the key properties of (2,4-dimethoxyphenyl)-phenothiazin-10-ylmethanone?
(2,4-dimethoxyphenyl)-phenothiazin-10-ylmethanone 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 (2,4-dimethoxyphenyl)-phenothiazin-10-ylmethanone is sourced from PubChem (CID 3478672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).