1-(2-methoxyphenothiazin-10-yl)-2-methylprop-2-en-1-one

C17H15NO2S — CID 54369042

IUPAC1-(2-methoxyphenothiazin-10-yl)-2-methylprop-2-en-1-one
SMILESC=C(C)C(=O)N1c2ccccc2Sc2ccc(OC)cc21
InChIInChI=1S/C17H15NO2S/c1-11(2)17(19)18-13-6-4-5-7-15(13)21-16-9-8-12(20-3)10-14(16)18/h4-10H,1H2,2-3H3
InChIKeyURVHZQAMGAZFNM-UHFFFAOYSA-N
MW297.38 g/mol
LogP4.40
Rot. Bonds2

About 1-(2-methoxyphenothiazin-10-yl)-2-methylprop-2-en-1-one

1-(2-methoxyphenothiazin-10-yl)-2-methylprop-2-en-1-one (PubChem CID 54369042) has the molecular formula C17H15NO2S and a molecular weight of 297.38 g/mol. Its IUPAC name is 1-(2-methoxyphenothiazin-10-yl)-2-methylprop-2-en-1-one.

Molecular Properties

Compound Name1-(2-methoxyphenothiazin-10-yl)-2-methylprop-2-en-1-one
PubChem CID54369042
Molecular FormulaC17H15NO2S
Molecular Weight297.38 g/mol
Exact Mass297.08
IUPAC Name1-(2-methoxyphenothiazin-10-yl)-2-methylprop-2-en-1-one
SMILESC=C(C)C(=O)N1c2ccccc2Sc2ccc(OC)cc21
InChIInChI=1S/C17H15NO2S/c1-11(2)17(19)18-13-6-4-5-7-15(13)21-16-9-8-12(20-3)10-14(16)18/h4-10H,1H2,2-3H3
InChIKeyURVHZQAMGAZFNM-UHFFFAOYSA-N
XLogP4.40
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(4-methoxyphenyl)-phenothiazin-10-ylmethanone
CID 1237217
N-(2,5-dimethoxyphenyl)phenothiazine-10-carboxamide
CID 4194410
2-methoxy-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]phenothiazine-10-carboxamide
CID 14027141
(2-oxo-2-phenothiazin-10-ylethyl) 3-methoxybenzoate
CID 8009407
N'-(4-methoxybenzoyl)phenothiazine-10-carbohydrazide
CID 4928260
3-methoxy-10-methylphenothiazine
CID 18761115
2-methoxy-10-tritylphenothiazine
CID 139765572
2-(3,5-dimethoxyanilino)-1-phenothiazin-10-ylethanone
CID 20788204
2-imidazol-1-yl-1-(3-methoxyphenothiazin-10-yl)ethanone
CID 20569761
[4-(4-methoxyphenyl)piperazin-1-yl]-phenothiazin-10-ylmethanone
CID 982285
2-methoxy-10-(4-propan-2-ylphenyl)phenothiazine
CID 58293895
2-methylprop-2-enoic acid;7-thiabicyclo[4.1.0]hepta-1,3,5-triene
CID 88725230

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenothiazin-10-yl)-2-methylprop-2-en-1-one?
The IUPAC name of 1-(2-methoxyphenothiazin-10-yl)-2-methylprop-2-en-1-one (CID 54369042) is 1-(2-methoxyphenothiazin-10-yl)-2-methylprop-2-en-1-one.
What is the SMILES notation for 1-(2-methoxyphenothiazin-10-yl)-2-methylprop-2-en-1-one?
The canonical SMILES for 1-(2-methoxyphenothiazin-10-yl)-2-methylprop-2-en-1-one is C=C(C)C(=O)N1c2ccccc2Sc2ccc(OC)cc21.
What is the InChIKey of 1-(2-methoxyphenothiazin-10-yl)-2-methylprop-2-en-1-one?
The InChIKey is URVHZQAMGAZFNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2S/c1-11(2)17(19)18-13-6-4-5-7-15(13)21-16-9-8-12(20-3)10-14(16)18/h4-10H,1H2,2-3H3.
What are the key properties of 1-(2-methoxyphenothiazin-10-yl)-2-methylprop-2-en-1-one?
1-(2-methoxyphenothiazin-10-yl)-2-methylprop-2-en-1-one has a molecular weight of 297.38 g/mol, XLogP of 4.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenothiazin-10-yl)-2-methylprop-2-en-1-one is sourced from PubChem (CID 54369042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).