10-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyrido[3,2-b][1,4]benzothiazine

C24H26N4OS — CID 110188709

IUPAC10-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyrido[3,2-b][1,4]benzothiazine
SMILESCOc1ccccc1N1CCN(CCN2c3ccccc3Sc3cccnc32)CC1
InChIInChI=1S/C24H26N4OS/c1-29-21-9-4-2-7-19(21)27-16-13-26(14-17-27)15-18-28-20-8-3-5-10-22(20)30-23-11-6-12-25-24(23)28/h2-12H,13-18H2,1H3
InChIKeyYQXWKRAXCODNFZ-UHFFFAOYSA-N
MW418.57 g/mol
LogP4.52
Rot. Bonds5

About 10-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyrido[3,2-b][1,4]benzothiazine

10-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyrido[3,2-b][1,4]benzothiazine (PubChem CID 110188709) has the molecular formula C24H26N4OS and a molecular weight of 418.57 g/mol. Its IUPAC name is 10-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyrido[3,2-b][1,4]benzothiazine.

Molecular Properties

Compound Name10-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyrido[3,2-b][1,4]benzothiazine
PubChem CID110188709
Molecular FormulaC24H26N4OS
Molecular Weight418.57 g/mol
Exact Mass418.18
IUPAC Name10-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyrido[3,2-b][1,4]benzothiazine
SMILESCOc1ccccc1N1CCN(CCN2c3ccccc3Sc3cccnc32)CC1
InChIInChI=1S/C24H26N4OS/c1-29-21-9-4-2-7-19(21)27-16-13-26(14-17-27)15-18-28-20-8-3-5-10-22(20)30-23-11-6-12-25-24(23)28/h2-12H,13-18H2,1H3
InChIKeyYQXWKRAXCODNFZ-UHFFFAOYSA-N
XLogP4.52
TPSA31.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.57
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 10-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyrido[3,2-b][1,4]benzothiazine?
The IUPAC name of 10-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyrido[3,2-b][1,4]benzothiazine (CID 110188709) is 10-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyrido[3,2-b][1,4]benzothiazine.
What is the SMILES notation for 10-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyrido[3,2-b][1,4]benzothiazine?
The canonical SMILES for 10-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyrido[3,2-b][1,4]benzothiazine is COc1ccccc1N1CCN(CCN2c3ccccc3Sc3cccnc32)CC1.
What is the InChIKey of 10-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyrido[3,2-b][1,4]benzothiazine?
The InChIKey is YQXWKRAXCODNFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4OS/c1-29-21-9-4-2-7-19(21)27-16-13-26(14-17-27)15-18-28-20-8-3-5-10-22(20)30-23-11-6-12-25-24(23)28/h2-12H,13-18H2,1H3.
What are the key properties of 10-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyrido[3,2-b][1,4]benzothiazine?
10-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyrido[3,2-b][1,4]benzothiazine has a molecular weight of 418.57 g/mol, XLogP of 4.52, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyrido[3,2-b][1,4]benzothiazine is sourced from PubChem (CID 110188709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).