3-(10H-phenothiazin-2-yl)-4,6,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazin-3-ol

C20H22N2O2S — CID 86276217

IUPAC3-(10H-phenothiazin-2-yl)-4,6,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazin-3-ol
SMILESOC1(c2ccc3c(c2)Nc2ccccc2S3)CN2CCCCC2CO1
InChIInChI=1S/C20H22N2O2S/c23-20(13-22-10-4-3-5-15(22)12-24-20)14-8-9-19-17(11-14)21-16-6-1-2-7-18(16)25-19/h1-2,6-9,11,15,21,23H,3-5,10,12-13H2
InChIKeyFDTHFZBIIQURTN-UHFFFAOYSA-N
MW354.48 g/mol
LogP3.92
Rot. Bonds1

About 3-(10H-phenothiazin-2-yl)-4,6,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazin-3-ol

3-(10H-phenothiazin-2-yl)-4,6,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazin-3-ol (PubChem CID 86276217) has the molecular formula C20H22N2O2S and a molecular weight of 354.48 g/mol. Its IUPAC name is 3-(10H-phenothiazin-2-yl)-4,6,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazin-3-ol.

Molecular Properties

Compound Name3-(10H-phenothiazin-2-yl)-4,6,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazin-3-ol
PubChem CID86276217
Molecular FormulaC20H22N2O2S
Molecular Weight354.48 g/mol
Exact Mass354.14
IUPAC Name3-(10H-phenothiazin-2-yl)-4,6,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazin-3-ol
SMILESOC1(c2ccc3c(c2)Nc2ccccc2S3)CN2CCCCC2CO1
InChIInChI=1S/C20H22N2O2S/c23-20(13-22-10-4-3-5-15(22)12-24-20)14-8-9-19-17(11-14)21-16-6-1-2-7-18(16)25-19/h1-2,6-9,11,15,21,23H,3-5,10,12-13H2
InChIKeyFDTHFZBIIQURTN-UHFFFAOYSA-N
XLogP3.92
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(10H-phenothiazin-2-yl)-4,6,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazin-3-ol?
The IUPAC name of 3-(10H-phenothiazin-2-yl)-4,6,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazin-3-ol (CID 86276217) is 3-(10H-phenothiazin-2-yl)-4,6,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazin-3-ol.
What is the SMILES notation for 3-(10H-phenothiazin-2-yl)-4,6,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazin-3-ol?
The canonical SMILES for 3-(10H-phenothiazin-2-yl)-4,6,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazin-3-ol is OC1(c2ccc3c(c2)Nc2ccccc2S3)CN2CCCCC2CO1.
What is the InChIKey of 3-(10H-phenothiazin-2-yl)-4,6,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazin-3-ol?
The InChIKey is FDTHFZBIIQURTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2S/c23-20(13-22-10-4-3-5-15(22)12-24-20)14-8-9-19-17(11-14)21-16-6-1-2-7-18(16)25-19/h1-2,6-9,11,15,21,23H,3-5,10,12-13H2.
What are the key properties of 3-(10H-phenothiazin-2-yl)-4,6,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazin-3-ol?
3-(10H-phenothiazin-2-yl)-4,6,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazin-3-ol has a molecular weight of 354.48 g/mol, XLogP of 3.92, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(10H-phenothiazin-2-yl)-4,6,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazin-3-ol is sourced from PubChem (CID 86276217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).