4-methyl-2-(10-methylphenothiazin-2-yl)morpholin-2-ol

C18H20N2O2S — CID 90655200

IUPAC4-methyl-2-(10-methylphenothiazin-2-yl)morpholin-2-ol
SMILESCN1CCOC(O)(c2ccc3c(c2)N(C)c2ccccc2S3)C1
InChIInChI=1S/C18H20N2O2S/c1-19-9-10-22-18(21,12-19)13-7-8-17-15(11-13)20(2)14-5-3-4-6-16(14)23-17/h3-8,11,21H,9-10,12H2,1-2H3
InChIKeyYYNJJGDTZUNLPJ-UHFFFAOYSA-N
MW328.44 g/mol
LogP3.03
Rot. Bonds1

About 4-methyl-2-(10-methylphenothiazin-2-yl)morpholin-2-ol

4-methyl-2-(10-methylphenothiazin-2-yl)morpholin-2-ol (PubChem CID 90655200) has the molecular formula C18H20N2O2S and a molecular weight of 328.44 g/mol. Its IUPAC name is 4-methyl-2-(10-methylphenothiazin-2-yl)morpholin-2-ol.

Molecular Properties

Compound Name4-methyl-2-(10-methylphenothiazin-2-yl)morpholin-2-ol
PubChem CID90655200
Molecular FormulaC18H20N2O2S
Molecular Weight328.44 g/mol
Exact Mass328.12
IUPAC Name4-methyl-2-(10-methylphenothiazin-2-yl)morpholin-2-ol
SMILESCN1CCOC(O)(c2ccc3c(c2)N(C)c2ccccc2S3)C1
InChIInChI=1S/C18H20N2O2S/c1-19-9-10-22-18(21,12-19)13-7-8-17-15(11-13)20(2)14-5-3-4-6-16(14)23-17/h3-8,11,21H,9-10,12H2,1-2H3
InChIKeyYYNJJGDTZUNLPJ-UHFFFAOYSA-N
XLogP3.03
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(10-methylphenothiazin-2-yl)morpholin-2-ol?
The IUPAC name of 4-methyl-2-(10-methylphenothiazin-2-yl)morpholin-2-ol (CID 90655200) is 4-methyl-2-(10-methylphenothiazin-2-yl)morpholin-2-ol.
What is the SMILES notation for 4-methyl-2-(10-methylphenothiazin-2-yl)morpholin-2-ol?
The canonical SMILES for 4-methyl-2-(10-methylphenothiazin-2-yl)morpholin-2-ol is CN1CCOC(O)(c2ccc3c(c2)N(C)c2ccccc2S3)C1.
What is the InChIKey of 4-methyl-2-(10-methylphenothiazin-2-yl)morpholin-2-ol?
The InChIKey is YYNJJGDTZUNLPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2S/c1-19-9-10-22-18(21,12-19)13-7-8-17-15(11-13)20(2)14-5-3-4-6-16(14)23-17/h3-8,11,21H,9-10,12H2,1-2H3.
What are the key properties of 4-methyl-2-(10-methylphenothiazin-2-yl)morpholin-2-ol?
4-methyl-2-(10-methylphenothiazin-2-yl)morpholin-2-ol has a molecular weight of 328.44 g/mol, XLogP of 3.03, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(10-methylphenothiazin-2-yl)morpholin-2-ol is sourced from PubChem (CID 90655200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).