3-methoxy-7-methyl-10H-phenothiazine

C14H13NOS — CID 118537045

IUPAC3-methoxy-7-methyl-10H-phenothiazine
SMILESCOc1ccc2c(c1)Sc1cc(C)ccc1N2
InChIInChI=1S/C14H13NOS/c1-9-3-5-11-13(7-9)17-14-8-10(16-2)4-6-12(14)15-11/h3-8,15H,1-2H3
InChIKeyQOHNVDCTYXPXET-UHFFFAOYSA-N
MW243.33 g/mol
LogP4.21
Rot. Bonds1

About 3-methoxy-7-methyl-10H-phenothiazine

3-methoxy-7-methyl-10H-phenothiazine (PubChem CID 118537045) has the molecular formula C14H13NOS and a molecular weight of 243.33 g/mol. Its IUPAC name is 3-methoxy-7-methyl-10H-phenothiazine.

Molecular Properties

Compound Name3-methoxy-7-methyl-10H-phenothiazine
PubChem CID118537045
Molecular FormulaC14H13NOS
Molecular Weight243.33 g/mol
Exact Mass243.07
IUPAC Name3-methoxy-7-methyl-10H-phenothiazine
SMILESCOc1ccc2c(c1)Sc1cc(C)ccc1N2
InChIInChI=1S/C14H13NOS/c1-9-3-5-11-13(7-9)17-14-8-10(16-2)4-6-12(14)15-11/h3-8,15H,1-2H3
InChIKeyQOHNVDCTYXPXET-UHFFFAOYSA-N
XLogP4.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-fluoroethoxy)-7-methyl-10H-phenothiazine
CID 162139870
3-methyl-7-prop-2-ynoxy-10H-phenothiazine
CID 162139868
7-fluoro-2-methoxy-10H-phenothiazine
CID 13153678
8-ethyl-3-methoxy-12H-benzo[b]phenothiazine
CID 139221802
2,8-dimethoxythianthrene
CID 71400378
3-(7-methylthianthren-2-yl)-10H-phenothiazine
CID 175624592
7-methoxy-3,4-dihydro-1,4-benzothiazin-2-one
CID 115095138
6-methoxy-2,3-dihydro-1,2,3-benzothiadiazole
CID 22420669
[3-(2-hydroxy-5-methylphenyl)-7-methoxy-4H-1,4-benzothiazin-2-yl]-thiophen-2-ylmethanone
CID 10572787
8-methoxyspiro[2,5-dihydro-1,5-benzothiazepine-3,1'-cyclopropane]-4-one
CID 115099183
2',7'-dimethoxy-2,7-dimethyl-9,9'-spirobi[fluorene]
CID 170925493
2-methyl-10H-phenothiazine
CID 611628

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-7-methyl-10H-phenothiazine?
The IUPAC name of 3-methoxy-7-methyl-10H-phenothiazine (CID 118537045) is 3-methoxy-7-methyl-10H-phenothiazine.
What is the SMILES notation for 3-methoxy-7-methyl-10H-phenothiazine?
The canonical SMILES for 3-methoxy-7-methyl-10H-phenothiazine is COc1ccc2c(c1)Sc1cc(C)ccc1N2.
What is the InChIKey of 3-methoxy-7-methyl-10H-phenothiazine?
The InChIKey is QOHNVDCTYXPXET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NOS/c1-9-3-5-11-13(7-9)17-14-8-10(16-2)4-6-12(14)15-11/h3-8,15H,1-2H3.
What are the key properties of 3-methoxy-7-methyl-10H-phenothiazine?
3-methoxy-7-methyl-10H-phenothiazine has a molecular weight of 243.33 g/mol, XLogP of 4.21, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-7-methyl-10H-phenothiazine is sourced from PubChem (CID 118537045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).