1,2,3-trimethoxy-4,8-dimethyl-3H-phenothiazine

C17H19NO3S — CID 163770542

IUPAC1,2,3-trimethoxy-4,8-dimethyl-3H-phenothiazine
SMILESCOC1=C(OC)C(OC)C(C)=C2Sc3ccc(C)cc3N=C12
InChIInChI=1S/C17H19NO3S/c1-9-6-7-12-11(8-9)18-13-15(20-4)16(21-5)14(19-3)10(2)17(13)22-12/h6-8,14H,1-5H3
InChIKeyMGAMPFYWNRIOJW-UHFFFAOYSA-N
MW317.41 g/mol
LogP3.98
Rot. Bonds3

About 1,2,3-trimethoxy-4,8-dimethyl-3H-phenothiazine

1,2,3-trimethoxy-4,8-dimethyl-3H-phenothiazine (PubChem CID 163770542) has the molecular formula C17H19NO3S and a molecular weight of 317.41 g/mol. Its IUPAC name is 1,2,3-trimethoxy-4,8-dimethyl-3H-phenothiazine.

Molecular Properties

Compound Name1,2,3-trimethoxy-4,8-dimethyl-3H-phenothiazine
PubChem CID163770542
Molecular FormulaC17H19NO3S
Molecular Weight317.41 g/mol
Exact Mass317.11
IUPAC Name1,2,3-trimethoxy-4,8-dimethyl-3H-phenothiazine
SMILESCOC1=C(OC)C(OC)C(C)=C2Sc3ccc(C)cc3N=C12
InChIInChI=1S/C17H19NO3S/c1-9-6-7-12-11(8-9)18-13-15(20-4)16(21-5)14(19-3)10(2)17(13)22-12/h6-8,14H,1-5H3
InChIKeyMGAMPFYWNRIOJW-UHFFFAOYSA-N
XLogP3.98
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1,2-dimethoxy-4-methyl-8-(trifluoromethyl)-3H-phenothiazin-3-ol
CID 123483327
(Z)-2-Benzylidene-3-n-butoxy-2H-1,4-benzothiazine
CID 139050519
1,2-Dimethoxy-4,8-dimethylphenothiazin-3-one
CID 90436453
1-Methoxy-2,4,8-trimethylphenothiazin-3-one
CID 90443791
1-methoxy-2,4-dimethyl-8-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]phenothiazin-3-one
CID 90443795
1,2-dimethoxy-4-methyl-8-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]phenothiazin-3-one
CID 90447492
1-Methoxy-2,4,7-trimethyl-3-methylidenephenothiazine
CID 118881013
1,2-dimethoxy-4,7-dimethyl-3H-phenothiazin-3-ol
CID 124008631
1,2-dimethoxy-4,8-dimethyl-3H-phenothiazine
CID 137437136

Frequently Asked Questions

What is the IUPAC name of 1,2,3-trimethoxy-4,8-dimethyl-3H-phenothiazine?
The IUPAC name of 1,2,3-trimethoxy-4,8-dimethyl-3H-phenothiazine (CID 163770542) is 1,2,3-trimethoxy-4,8-dimethyl-3H-phenothiazine.
What is the SMILES notation for 1,2,3-trimethoxy-4,8-dimethyl-3H-phenothiazine?
The canonical SMILES for 1,2,3-trimethoxy-4,8-dimethyl-3H-phenothiazine is COC1=C(OC)C(OC)C(C)=C2Sc3ccc(C)cc3N=C12.
What is the InChIKey of 1,2,3-trimethoxy-4,8-dimethyl-3H-phenothiazine?
The InChIKey is MGAMPFYWNRIOJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3S/c1-9-6-7-12-11(8-9)18-13-15(20-4)16(21-5)14(19-3)10(2)17(13)22-12/h6-8,14H,1-5H3.
What are the key properties of 1,2,3-trimethoxy-4,8-dimethyl-3H-phenothiazine?
1,2,3-trimethoxy-4,8-dimethyl-3H-phenothiazine has a molecular weight of 317.41 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trimethoxy-4,8-dimethyl-3H-phenothiazine is sourced from PubChem (CID 163770542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).