methyl 2-(7-methoxy-10-methylphenothiazin-2-yl)acetate

C17H17NO3S — CID 134990679

IUPACmethyl 2-(7-methoxy-10-methylphenothiazin-2-yl)acetate
SMILESCOC(=O)Cc1ccc2c(c1)N(C)c1ccc(OC)cc1S2
InChIInChI=1S/C17H17NO3S/c1-18-13-6-5-12(20-2)10-16(13)22-15-7-4-11(8-14(15)18)9-17(19)21-3/h4-8,10H,9H2,1-3H3
InChIKeyCSUGJZAPJBLQTQ-UHFFFAOYSA-N
MW315.39 g/mol
LogP3.64
Rot. Bonds3

About methyl 2-(7-methoxy-10-methylphenothiazin-2-yl)acetate

methyl 2-(7-methoxy-10-methylphenothiazin-2-yl)acetate (PubChem CID 134990679) has the molecular formula C17H17NO3S and a molecular weight of 315.39 g/mol. Its IUPAC name is methyl 2-(7-methoxy-10-methylphenothiazin-2-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(7-methoxy-10-methylphenothiazin-2-yl)acetate
PubChem CID134990679
Molecular FormulaC17H17NO3S
Molecular Weight315.39 g/mol
Exact Mass315.09
IUPAC Namemethyl 2-(7-methoxy-10-methylphenothiazin-2-yl)acetate
SMILESCOC(=O)Cc1ccc2c(c1)N(C)c1ccc(OC)cc1S2
InChIInChI=1S/C17H17NO3S/c1-18-13-6-5-12(20-2)10-16(13)22-15-7-4-11(8-14(15)18)9-17(19)21-3/h4-8,10H,9H2,1-3H3
InChIKeyCSUGJZAPJBLQTQ-UHFFFAOYSA-N
XLogP3.64
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(7-methoxy-10-methylphenothiazin-2-yl)acetate?
The IUPAC name of methyl 2-(7-methoxy-10-methylphenothiazin-2-yl)acetate (CID 134990679) is methyl 2-(7-methoxy-10-methylphenothiazin-2-yl)acetate.
What is the SMILES notation for methyl 2-(7-methoxy-10-methylphenothiazin-2-yl)acetate?
The canonical SMILES for methyl 2-(7-methoxy-10-methylphenothiazin-2-yl)acetate is COC(=O)Cc1ccc2c(c1)N(C)c1ccc(OC)cc1S2.
What is the InChIKey of methyl 2-(7-methoxy-10-methylphenothiazin-2-yl)acetate?
The InChIKey is CSUGJZAPJBLQTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3S/c1-18-13-6-5-12(20-2)10-16(13)22-15-7-4-11(8-14(15)18)9-17(19)21-3/h4-8,10H,9H2,1-3H3.
What are the key properties of methyl 2-(7-methoxy-10-methylphenothiazin-2-yl)acetate?
methyl 2-(7-methoxy-10-methylphenothiazin-2-yl)acetate has a molecular weight of 315.39 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(7-methoxy-10-methylphenothiazin-2-yl)acetate is sourced from PubChem (CID 134990679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).