4-methyl-2-(10H-phenothiazin-2-yl)-4a,5,6,7,8,8a-hexahydro-3H-benzo[b][1,4]oxazin-2-ol

C21H24N2O2S — CID 86276221

IUPAC4-methyl-2-(10H-phenothiazin-2-yl)-4a,5,6,7,8,8a-hexahydro-3H-benzo[b][1,4]oxazin-2-ol
SMILESCN1CC(O)(c2ccc3c(c2)Nc2ccccc2S3)OC2CCCCC21
InChIInChI=1S/C21H24N2O2S/c1-23-13-21(24,25-18-8-4-3-7-17(18)23)14-10-11-20-16(12-14)22-15-6-2-5-9-19(15)26-20/h2,5-6,9-12,17-18,22,24H,3-4,7-8,13H2,1H3
InChIKeyRKNYLNHGFOONQP-UHFFFAOYSA-N
MW368.50 g/mol
LogP4.31
Rot. Bonds1

About 4-methyl-2-(10H-phenothiazin-2-yl)-4a,5,6,7,8,8a-hexahydro-3H-benzo[b][1,4]oxazin-2-ol

4-methyl-2-(10H-phenothiazin-2-yl)-4a,5,6,7,8,8a-hexahydro-3H-benzo[b][1,4]oxazin-2-ol (PubChem CID 86276221) has the molecular formula C21H24N2O2S and a molecular weight of 368.50 g/mol. Its IUPAC name is 4-methyl-2-(10H-phenothiazin-2-yl)-4a,5,6,7,8,8a-hexahydro-3H-benzo[b][1,4]oxazin-2-ol.

Molecular Properties

Compound Name4-methyl-2-(10H-phenothiazin-2-yl)-4a,5,6,7,8,8a-hexahydro-3H-benzo[b][1,4]oxazin-2-ol
PubChem CID86276221
Molecular FormulaC21H24N2O2S
Molecular Weight368.50 g/mol
Exact Mass368.16
IUPAC Name4-methyl-2-(10H-phenothiazin-2-yl)-4a,5,6,7,8,8a-hexahydro-3H-benzo[b][1,4]oxazin-2-ol
SMILESCN1CC(O)(c2ccc3c(c2)Nc2ccccc2S3)OC2CCCCC21
InChIInChI=1S/C21H24N2O2S/c1-23-13-21(24,25-18-8-4-3-7-17(18)23)14-10-11-20-16(12-14)22-15-6-2-5-9-19(15)26-20/h2,5-6,9-12,17-18,22,24H,3-4,7-8,13H2,1H3
InChIKeyRKNYLNHGFOONQP-UHFFFAOYSA-N
XLogP4.31
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(10H-phenothiazin-2-yl)-4a,5,6,7,8,8a-hexahydro-3H-benzo[b][1,4]oxazin-2-ol?
The IUPAC name of 4-methyl-2-(10H-phenothiazin-2-yl)-4a,5,6,7,8,8a-hexahydro-3H-benzo[b][1,4]oxazin-2-ol (CID 86276221) is 4-methyl-2-(10H-phenothiazin-2-yl)-4a,5,6,7,8,8a-hexahydro-3H-benzo[b][1,4]oxazin-2-ol.
What is the SMILES notation for 4-methyl-2-(10H-phenothiazin-2-yl)-4a,5,6,7,8,8a-hexahydro-3H-benzo[b][1,4]oxazin-2-ol?
The canonical SMILES for 4-methyl-2-(10H-phenothiazin-2-yl)-4a,5,6,7,8,8a-hexahydro-3H-benzo[b][1,4]oxazin-2-ol is CN1CC(O)(c2ccc3c(c2)Nc2ccccc2S3)OC2CCCCC21.
What is the InChIKey of 4-methyl-2-(10H-phenothiazin-2-yl)-4a,5,6,7,8,8a-hexahydro-3H-benzo[b][1,4]oxazin-2-ol?
The InChIKey is RKNYLNHGFOONQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2S/c1-23-13-21(24,25-18-8-4-3-7-17(18)23)14-10-11-20-16(12-14)22-15-6-2-5-9-19(15)26-20/h2,5-6,9-12,17-18,22,24H,3-4,7-8,13H2,1H3.
What are the key properties of 4-methyl-2-(10H-phenothiazin-2-yl)-4a,5,6,7,8,8a-hexahydro-3H-benzo[b][1,4]oxazin-2-ol?
4-methyl-2-(10H-phenothiazin-2-yl)-4a,5,6,7,8,8a-hexahydro-3H-benzo[b][1,4]oxazin-2-ol has a molecular weight of 368.50 g/mol, XLogP of 4.31, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(10H-phenothiazin-2-yl)-4a,5,6,7,8,8a-hexahydro-3H-benzo[b][1,4]oxazin-2-ol is sourced from PubChem (CID 86276221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).