12-(2-piperidin-1-ylethyl)quinolino[3,4-b][1,4]benzothiazine

C22H23N3S — CID 71816375

IUPAC12-(2-piperidin-1-ylethyl)quinolino[3,4-b][1,4]benzothiazine
SMILESc1ccc2c(c1)Sc1cnc3ccccc3c1N2CCN1CCCCC1
InChIInChI=1S/C22H23N3S/c1-6-12-24(13-7-1)14-15-25-19-10-4-5-11-20(19)26-21-16-23-18-9-3-2-8-17(18)22(21)25/h2-5,8-11,16H,1,6-7,12-15H2
InChIKeyRYZNSCDPERUSMN-UHFFFAOYSA-N
MW361.51 g/mol
LogP5.32
Rot. Bonds3

About 12-(2-piperidin-1-ylethyl)quinolino[3,4-b][1,4]benzothiazine

12-(2-piperidin-1-ylethyl)quinolino[3,4-b][1,4]benzothiazine (PubChem CID 71816375) has the molecular formula C22H23N3S and a molecular weight of 361.51 g/mol. Its IUPAC name is 12-(2-piperidin-1-ylethyl)quinolino[3,4-b][1,4]benzothiazine.

Molecular Properties

Compound Name12-(2-piperidin-1-ylethyl)quinolino[3,4-b][1,4]benzothiazine
PubChem CID71816375
Molecular FormulaC22H23N3S
Molecular Weight361.51 g/mol
Exact Mass361.16
IUPAC Name12-(2-piperidin-1-ylethyl)quinolino[3,4-b][1,4]benzothiazine
SMILESc1ccc2c(c1)Sc1cnc3ccccc3c1N2CCN1CCCCC1
InChIInChI=1S/C22H23N3S/c1-6-12-24(13-7-1)14-15-25-19-10-4-5-11-20(19)26-21-16-23-18-9-3-2-8-17(18)22(21)25/h2-5,8-11,16H,1,6-7,12-15H2
InChIKeyRYZNSCDPERUSMN-UHFFFAOYSA-N
XLogP5.32
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.51
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 12-(2-piperidin-1-ylethyl)quinolino[3,4-b][1,4]benzothiazine?
The IUPAC name of 12-(2-piperidin-1-ylethyl)quinolino[3,4-b][1,4]benzothiazine (CID 71816375) is 12-(2-piperidin-1-ylethyl)quinolino[3,4-b][1,4]benzothiazine.
What is the SMILES notation for 12-(2-piperidin-1-ylethyl)quinolino[3,4-b][1,4]benzothiazine?
The canonical SMILES for 12-(2-piperidin-1-ylethyl)quinolino[3,4-b][1,4]benzothiazine is c1ccc2c(c1)Sc1cnc3ccccc3c1N2CCN1CCCCC1.
What is the InChIKey of 12-(2-piperidin-1-ylethyl)quinolino[3,4-b][1,4]benzothiazine?
The InChIKey is RYZNSCDPERUSMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3S/c1-6-12-24(13-7-1)14-15-25-19-10-4-5-11-20(19)26-21-16-23-18-9-3-2-8-17(18)22(21)25/h2-5,8-11,16H,1,6-7,12-15H2.
What are the key properties of 12-(2-piperidin-1-ylethyl)quinolino[3,4-b][1,4]benzothiazine?
12-(2-piperidin-1-ylethyl)quinolino[3,4-b][1,4]benzothiazine has a molecular weight of 361.51 g/mol, XLogP of 5.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(2-piperidin-1-ylethyl)quinolino[3,4-b][1,4]benzothiazine is sourced from PubChem (CID 71816375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).