[3-(dimethylamino)-7-[ethyl(methyl)amino]phenothiazin-10-yl]-phenylmethanone

C24H25N3OS — CID 71181789

IUPAC[3-(dimethylamino)-7-[ethyl(methyl)amino]phenothiazin-10-yl]-phenylmethanone
SMILESCCN(C)c1ccc2c(c1)Sc1cc(N(C)C)ccc1N2C(=O)c1ccccc1
InChIInChI=1S/C24H25N3OS/c1-5-26(4)19-12-14-21-23(16-19)29-22-15-18(25(2)3)11-13-20(22)27(21)24(28)17-9-7-6-8-10-17/h6-16H,5H2,1-4H3
InChIKeyXTGHSUOIGBWITK-UHFFFAOYSA-N
MW403.55 g/mol
LogP5.65
Rot. Bonds4

About [3-(dimethylamino)-7-[ethyl(methyl)amino]phenothiazin-10-yl]-phenylmethanone

[3-(dimethylamino)-7-[ethyl(methyl)amino]phenothiazin-10-yl]-phenylmethanone (PubChem CID 71181789) has the molecular formula C24H25N3OS and a molecular weight of 403.55 g/mol. Its IUPAC name is [3-(dimethylamino)-7-[ethyl(methyl)amino]phenothiazin-10-yl]-phenylmethanone.

Molecular Properties

Compound Name[3-(dimethylamino)-7-[ethyl(methyl)amino]phenothiazin-10-yl]-phenylmethanone
PubChem CID71181789
Molecular FormulaC24H25N3OS
Molecular Weight403.55 g/mol
Exact Mass403.17
IUPAC Name[3-(dimethylamino)-7-[ethyl(methyl)amino]phenothiazin-10-yl]-phenylmethanone
SMILESCCN(C)c1ccc2c(c1)Sc1cc(N(C)C)ccc1N2C(=O)c1ccccc1
InChIInChI=1S/C24H25N3OS/c1-5-26(4)19-12-14-21-23(16-19)29-22-15-18(25(2)3)11-13-20(22)27(21)24(28)17-9-7-6-8-10-17/h6-16H,5H2,1-4H3
InChIKeyXTGHSUOIGBWITK-UHFFFAOYSA-N
XLogP5.65
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.55
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3,7-bis(dimethylamino)phenothiazine-10-carbonyl chloride
CID 23558007
N-[10-acetyl-7-(dimethylamino)phenothiazin-3-yl]-N-methylacetamide
CID 15918618
2-[[3,7-bis(dimethylamino)phenothiazine-10-carbonyl]amino]ethanesulfonate
CID 153427895
ethyl 4-[[3,7-bis(dimethylamino)phenothiazine-10-carbonyl]amino]butanoate
CID 139461111
2-(4-hydroxyphenyl)ethyl 3,7-bis(dimethylamino)phenothiazine-10-carboxylate
CID 155349410
1-[3,8-bis(dimethylamino)-6H-cyclohepta[b][1,4]benzothiazin-11-yl]ethanone
CID 143608884
3-propanoylphenothiazine-10-carboxylic acid
CID 154096158
2-[[2-[[3,7-bis(dimethylamino)phenothiazine-10-carbonyl]amino]acetyl]amino]ethanesulfonic acid
CID 24895843
bis[4-(dimethylamino)phenyl]methanone;bis[4-[ethyl(methyl)amino]phenyl]methanone
CID 159995939
3,7-bis(dimethylamino)-N'-(4-hydroxyphenyl)sulfonylphenothiazine-10-carbohydrazide
CID 164822712
(3-isocyanophenothiazin-10-yl)-(4-methylphenyl)methanone
CID 163811658
bis[4-(diethylamino)phenyl]methanone;bis[4-(dimethylamino)phenyl]methanone;diphenylmethanone
CID 161451495

Frequently Asked Questions

What is the IUPAC name of [3-(dimethylamino)-7-[ethyl(methyl)amino]phenothiazin-10-yl]-phenylmethanone?
The IUPAC name of [3-(dimethylamino)-7-[ethyl(methyl)amino]phenothiazin-10-yl]-phenylmethanone (CID 71181789) is [3-(dimethylamino)-7-[ethyl(methyl)amino]phenothiazin-10-yl]-phenylmethanone.
What is the SMILES notation for [3-(dimethylamino)-7-[ethyl(methyl)amino]phenothiazin-10-yl]-phenylmethanone?
The canonical SMILES for [3-(dimethylamino)-7-[ethyl(methyl)amino]phenothiazin-10-yl]-phenylmethanone is CCN(C)c1ccc2c(c1)Sc1cc(N(C)C)ccc1N2C(=O)c1ccccc1.
What is the InChIKey of [3-(dimethylamino)-7-[ethyl(methyl)amino]phenothiazin-10-yl]-phenylmethanone?
The InChIKey is XTGHSUOIGBWITK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3OS/c1-5-26(4)19-12-14-21-23(16-19)29-22-15-18(25(2)3)11-13-20(22)27(21)24(28)17-9-7-6-8-10-17/h6-16H,5H2,1-4H3.
What are the key properties of [3-(dimethylamino)-7-[ethyl(methyl)amino]phenothiazin-10-yl]-phenylmethanone?
[3-(dimethylamino)-7-[ethyl(methyl)amino]phenothiazin-10-yl]-phenylmethanone has a molecular weight of 403.55 g/mol, XLogP of 5.65, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dimethylamino)-7-[ethyl(methyl)amino]phenothiazin-10-yl]-phenylmethanone is sourced from PubChem (CID 71181789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).