2-methyl-1-(10-methylphenothiazin-2-yl)-2-morpholin-4-ylpropan-1-one

C21H24N2O2S — CID 19879415

IUPAC2-methyl-1-(10-methylphenothiazin-2-yl)-2-morpholin-4-ylpropan-1-one
SMILESCN1c2ccccc2Sc2ccc(C(=O)C(C)(C)N3CCOCC3)cc21
InChIInChI=1S/C21H24N2O2S/c1-21(2,23-10-12-25-13-11-23)20(24)15-8-9-19-17(14-15)22(3)16-6-4-5-7-18(16)26-19/h4-9,14H,10-13H2,1-3H3
InChIKeyFKDBQSNOCDSAOK-UHFFFAOYSA-N
MW368.50 g/mol
LogP4.21
Rot. Bonds3

About 2-methyl-1-(10-methylphenothiazin-2-yl)-2-morpholin-4-ylpropan-1-one

2-methyl-1-(10-methylphenothiazin-2-yl)-2-morpholin-4-ylpropan-1-one (PubChem CID 19879415) has the molecular formula C21H24N2O2S and a molecular weight of 368.50 g/mol. Its IUPAC name is 2-methyl-1-(10-methylphenothiazin-2-yl)-2-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name2-methyl-1-(10-methylphenothiazin-2-yl)-2-morpholin-4-ylpropan-1-one
PubChem CID19879415
Molecular FormulaC21H24N2O2S
Molecular Weight368.50 g/mol
Exact Mass368.16
IUPAC Name2-methyl-1-(10-methylphenothiazin-2-yl)-2-morpholin-4-ylpropan-1-one
SMILESCN1c2ccccc2Sc2ccc(C(=O)C(C)(C)N3CCOCC3)cc21
InChIInChI=1S/C21H24N2O2S/c1-21(2,23-10-12-25-13-11-23)20(24)15-8-9-19-17(14-15)22(3)16-6-4-5-7-18(16)26-19/h4-9,14H,10-13H2,1-3H3
InChIKeyFKDBQSNOCDSAOK-UHFFFAOYSA-N
XLogP4.21
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Related Compounds

2-methyl-1-[8-(2-methyl-2-morpholin-4-ylpropanoyl)thianthren-2-yl]-2-morpholin-4-ylpropan-1-one
CID 23325710
2-methyl-1-(10-methylphenoxazin-2-yl)-2-morpholin-4-ylpropan-1-one
CID 19879386
1-(4-benzylphenyl)-2-methyl-2-morpholin-4-ylpropan-1-one
CID 139636623
2-(2-methyl-2-morpholin-4-ylpropanoyl)fluoren-9-one
CID 19879395
1-(3-fluorophenyl)-2-methyl-2-morpholin-4-ylpropan-1-one
CID 79044890
1-[9-[6-[3,6-bis(2-methyl-2-morpholin-4-ylpropanoyl)carbazol-9-yl]hexyl]-6-(2-methyl-2-morpholin-4-ylpropanoyl)carbazol-3-yl]-2-methyl-2-morpholin-4-ylpropan-1-one
CID 147279246
2-methyl-2-morpholin-4-yl-1-(4-phenylsulfanylphenyl)propan-1-one
CID 19879538
2-methyl-2-morpholin-4-yl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-one
CID 19879459
1-[4-[4-[3,4-bis(phosphanylmethyl)phenyl]phenyl]phenyl]-2-methyl-2-morpholin-4-ylpropan-1-one
CID 159182083
2-methyl-1-[6-(2-methyl-2-morpholin-4-ylpropanoyl)-9-octylcarbazol-3-yl]-2-morpholin-4-ylpropan-1-one
CID 4175151
1-(3,4-dihydro-2H-chromen-6-yl)-2-methyl-2-morpholin-4-ylpropan-1-one
CID 19879385
[4-(2-methyl-2-morpholin-4-ylpropanoyl)-2-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate
CID 138517356

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(10-methylphenothiazin-2-yl)-2-morpholin-4-ylpropan-1-one?
The IUPAC name of 2-methyl-1-(10-methylphenothiazin-2-yl)-2-morpholin-4-ylpropan-1-one (CID 19879415) is 2-methyl-1-(10-methylphenothiazin-2-yl)-2-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 2-methyl-1-(10-methylphenothiazin-2-yl)-2-morpholin-4-ylpropan-1-one?
The canonical SMILES for 2-methyl-1-(10-methylphenothiazin-2-yl)-2-morpholin-4-ylpropan-1-one is CN1c2ccccc2Sc2ccc(C(=O)C(C)(C)N3CCOCC3)cc21.
What is the InChIKey of 2-methyl-1-(10-methylphenothiazin-2-yl)-2-morpholin-4-ylpropan-1-one?
The InChIKey is FKDBQSNOCDSAOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2S/c1-21(2,23-10-12-25-13-11-23)20(24)15-8-9-19-17(14-15)22(3)16-6-4-5-7-18(16)26-19/h4-9,14H,10-13H2,1-3H3.
What are the key properties of 2-methyl-1-(10-methylphenothiazin-2-yl)-2-morpholin-4-ylpropan-1-one?
2-methyl-1-(10-methylphenothiazin-2-yl)-2-morpholin-4-ylpropan-1-one has a molecular weight of 368.50 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(10-methylphenothiazin-2-yl)-2-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 19879415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).