2-(7-methoxy-10-methylphenothiazin-2-yl)acetic acid

C16H15NO3S — CID 134990446

IUPAC2-(7-methoxy-10-methylphenothiazin-2-yl)acetic acid
SMILESCOc1ccc2c(c1)Sc1ccc(CC(=O)O)cc1N2C
InChIInChI=1S/C16H15NO3S/c1-17-12-5-4-11(20-2)9-15(12)21-14-6-3-10(7-13(14)17)8-16(18)19/h3-7,9H,8H2,1-2H3,(H,18,19)
InChIKeyNWKKWGXYRXVBQP-UHFFFAOYSA-N
MW301.37 g/mol
LogP3.55
Rot. Bonds3

About 2-(7-methoxy-10-methylphenothiazin-2-yl)acetic acid

2-(7-methoxy-10-methylphenothiazin-2-yl)acetic acid (PubChem CID 134990446) has the molecular formula C16H15NO3S and a molecular weight of 301.37 g/mol. Its IUPAC name is 2-(7-methoxy-10-methylphenothiazin-2-yl)acetic acid.

Molecular Properties

Compound Name2-(7-methoxy-10-methylphenothiazin-2-yl)acetic acid
PubChem CID134990446
Molecular FormulaC16H15NO3S
Molecular Weight301.37 g/mol
Exact Mass301.08
IUPAC Name2-(7-methoxy-10-methylphenothiazin-2-yl)acetic acid
SMILESCOc1ccc2c(c1)Sc1ccc(CC(=O)O)cc1N2C
InChIInChI=1S/C16H15NO3S/c1-17-12-5-4-11(20-2)9-15(12)21-14-6-3-10(7-13(14)17)8-16(18)19/h3-7,9H,8H2,1-2H3,(H,18,19)
InChIKeyNWKKWGXYRXVBQP-UHFFFAOYSA-N
XLogP3.55
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Protizinic Acid
CID 71862
2-(Acetyloxy)benzoic acid--2-(7-methoxy-10-methyl-10H-phenothiazin-2-yl)propanoic acid (1/1)
CID 187065
Protizinic acid hydroxide
CID 3050291
1-(7-Methoxy-10-methyl-10H-phenothiazin-2-yl)ethan-1-one
CID 84120
7-Methoxy-alpha,10-dimethyl-10H-phenothiazine-2-acetaldehyde
CID 20516237
2-[6-(Aminomethyl)-10-hexyl-3,7-dimethoxyphenothiazin-4-yl]acetic acid;2,2,2-trifluoroacetic acid
CID 67645893
2-[6-(Aminomethyl)-3,7-dimethoxy-10-methylphenothiazin-4-yl]acetic acid;2,2,2-trifluoroacetic acid
CID 67646179
[2-[6-(Aminomethyl)-10-hexyl-3,7-dimethoxyphenothiazin-4-yl]acetyl] 2,2,2-trifluoroacetate
CID 88335677
[2-[6-(Aminomethyl)-3,7-dimethoxy-10-methylphenothiazin-4-yl]acetyl] 2,2,2-trifluoroacetate
CID 88335805
Protizinic acid, (S)-
CID 90479106
Benzyl 2-[6-(aminomethyl)-3,7-dimethoxy-10-methylphenothiazin-4-yl]acetate;2,2,2-trifluoroacetic acid
CID 158144961
1-O-ethyl 3-O-methyl 2-(7-methoxy-10-methylphenothiazin-2-yl)-2-methylpropanedioate
CID 134990211

Frequently Asked Questions

What is the IUPAC name of 2-(7-methoxy-10-methylphenothiazin-2-yl)acetic acid?
The IUPAC name of 2-(7-methoxy-10-methylphenothiazin-2-yl)acetic acid (CID 134990446) is 2-(7-methoxy-10-methylphenothiazin-2-yl)acetic acid.
What is the SMILES notation for 2-(7-methoxy-10-methylphenothiazin-2-yl)acetic acid?
The canonical SMILES for 2-(7-methoxy-10-methylphenothiazin-2-yl)acetic acid is COc1ccc2c(c1)Sc1ccc(CC(=O)O)cc1N2C.
What is the InChIKey of 2-(7-methoxy-10-methylphenothiazin-2-yl)acetic acid?
The InChIKey is NWKKWGXYRXVBQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3S/c1-17-12-5-4-11(20-2)9-15(12)21-14-6-3-10(7-13(14)17)8-16(18)19/h3-7,9H,8H2,1-2H3,(H,18,19).
What are the key properties of 2-(7-methoxy-10-methylphenothiazin-2-yl)acetic acid?
2-(7-methoxy-10-methylphenothiazin-2-yl)acetic acid has a molecular weight of 301.37 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methoxy-10-methylphenothiazin-2-yl)acetic acid is sourced from PubChem (CID 134990446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).