7-methoxy-1,2,3,10-tetrahydrocyclopenta[b]phenothiazine

C16H15NOS — CID 15309887

IUPAC7-methoxy-1,2,3,10-tetrahydrocyclopenta[b]phenothiazine
SMILESCOc1ccc2c(c1)Sc1cc3c(cc1N2)CCC3
InChIInChI=1S/C16H15NOS/c1-18-12-5-6-13-16(9-12)19-15-8-11-4-2-3-10(11)7-14(15)17-13/h5-9,17H,2-4H2,1H3
InChIKeyDXQZFZGBVGZWRV-UHFFFAOYSA-N
MW269.37 g/mol
LogP4.39
Rot. Bonds1

About 7-methoxy-1,2,3,10-tetrahydrocyclopenta[b]phenothiazine

7-methoxy-1,2,3,10-tetrahydrocyclopenta[b]phenothiazine (PubChem CID 15309887) has the molecular formula C16H15NOS and a molecular weight of 269.37 g/mol. Its IUPAC name is 7-methoxy-1,2,3,10-tetrahydrocyclopenta[b]phenothiazine.

Molecular Properties

Compound Name7-methoxy-1,2,3,10-tetrahydrocyclopenta[b]phenothiazine
PubChem CID15309887
Molecular FormulaC16H15NOS
Molecular Weight269.37 g/mol
Exact Mass269.09
IUPAC Name7-methoxy-1,2,3,10-tetrahydrocyclopenta[b]phenothiazine
SMILESCOc1ccc2c(c1)Sc1cc3c(cc1N2)CCC3
InChIInChI=1S/C16H15NOS/c1-18-12-5-6-13-16(9-12)19-15-8-11-4-2-3-10(11)7-14(15)17-13/h5-9,17H,2-4H2,1H3
InChIKeyDXQZFZGBVGZWRV-UHFFFAOYSA-N
XLogP4.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-1,2,3,10-tetrahydrocyclopenta[b]phenothiazine?
The IUPAC name of 7-methoxy-1,2,3,10-tetrahydrocyclopenta[b]phenothiazine (CID 15309887) is 7-methoxy-1,2,3,10-tetrahydrocyclopenta[b]phenothiazine.
What is the SMILES notation for 7-methoxy-1,2,3,10-tetrahydrocyclopenta[b]phenothiazine?
The canonical SMILES for 7-methoxy-1,2,3,10-tetrahydrocyclopenta[b]phenothiazine is COc1ccc2c(c1)Sc1cc3c(cc1N2)CCC3.
What is the InChIKey of 7-methoxy-1,2,3,10-tetrahydrocyclopenta[b]phenothiazine?
The InChIKey is DXQZFZGBVGZWRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NOS/c1-18-12-5-6-13-16(9-12)19-15-8-11-4-2-3-10(11)7-14(15)17-13/h5-9,17H,2-4H2,1H3.
What are the key properties of 7-methoxy-1,2,3,10-tetrahydrocyclopenta[b]phenothiazine?
7-methoxy-1,2,3,10-tetrahydrocyclopenta[b]phenothiazine has a molecular weight of 269.37 g/mol, XLogP of 4.39, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-1,2,3,10-tetrahydrocyclopenta[b]phenothiazine is sourced from PubChem (CID 15309887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).