12-chloro-9-piperidin-1-yl-5H-quinolino[8,7-c][1,2]benzothiazine

C20H18ClN3S — CID 126516646

IUPAC12-chloro-9-piperidin-1-yl-5H-quinolino[8,7-c][1,2]benzothiazine
SMILESClc1cc2c(c3ncccc13)NSc1ccc(N3CCCCC3)cc1-2
InChIInChI=1S/C20H18ClN3S/c21-17-12-16-15-11-13(24-9-2-1-3-10-24)6-7-18(15)25-23-20(16)19-14(17)5-4-8-22-19/h4-8,11-12,23H,1-3,9-10H2
InChIKeyPPCXZMRKZUMPEZ-UHFFFAOYSA-N
MW367.91 g/mol
LogP5.98
Rot. Bonds1

About 12-chloro-9-piperidin-1-yl-5H-quinolino[8,7-c][1,2]benzothiazine

12-chloro-9-piperidin-1-yl-5H-quinolino[8,7-c][1,2]benzothiazine (PubChem CID 126516646) has the molecular formula C20H18ClN3S and a molecular weight of 367.91 g/mol. Its IUPAC name is 12-chloro-9-piperidin-1-yl-5H-quinolino[8,7-c][1,2]benzothiazine.

Molecular Properties

Compound Name12-chloro-9-piperidin-1-yl-5H-quinolino[8,7-c][1,2]benzothiazine
PubChem CID126516646
Molecular FormulaC20H18ClN3S
Molecular Weight367.91 g/mol
Exact Mass367.09
IUPAC Name12-chloro-9-piperidin-1-yl-5H-quinolino[8,7-c][1,2]benzothiazine
SMILESClc1cc2c(c3ncccc13)NSc1ccc(N3CCCCC3)cc1-2
InChIInChI=1S/C20H18ClN3S/c21-17-12-16-15-11-13(24-9-2-1-3-10-24)6-7-18(15)25-23-20(16)19-14(17)5-4-8-22-19/h4-8,11-12,23H,1-3,9-10H2
InChIKeyPPCXZMRKZUMPEZ-UHFFFAOYSA-N
XLogP5.98
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.91
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(12-chloro-5H-quinolino[8,7-c][1,2]benzothiazin-9-yl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 123509252
(12-chloro-5H-quinolino[8,7-c][1,2]benzothiazin-9-yl)-(4-methylpiperazin-1-yl)methanone
CID 126516719
2-(5-chloro-8-piperidin-1-ylquinolin-7-yl)ethanamine
CID 173056499
1-(2-chloro-5-pyrrolidin-1-ylphenyl)pyrrolidine
CID 23660792
13-piperidin-1-yl-2,4,10-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,11(16),12,14-heptaene-9,17-dione
CID 71588283
5-chloro-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol
CID 716609
5,7-dichloroquinolin-8-ol;nickel
CID 175096460
N-(5-chloroquinolin-8-yl)piperidine-1-carboxamide
CID 116783798
5-chloro-7-[(2,4-dichlorophenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methyl]quinolin-8-ol
CID 4220074
7-[(4-bromophenyl)-pyrrolidin-1-ylmethyl]-5-chloroquinolin-8-ol
CID 5185434
1-(3-chlorophenyl)azonane
CID 145391535
azetidin-1-yl-(5-chloroquinolin-8-yl)methanone
CID 166196760

Frequently Asked Questions

What is the IUPAC name of 12-chloro-9-piperidin-1-yl-5H-quinolino[8,7-c][1,2]benzothiazine?
The IUPAC name of 12-chloro-9-piperidin-1-yl-5H-quinolino[8,7-c][1,2]benzothiazine (CID 126516646) is 12-chloro-9-piperidin-1-yl-5H-quinolino[8,7-c][1,2]benzothiazine.
What is the SMILES notation for 12-chloro-9-piperidin-1-yl-5H-quinolino[8,7-c][1,2]benzothiazine?
The canonical SMILES for 12-chloro-9-piperidin-1-yl-5H-quinolino[8,7-c][1,2]benzothiazine is Clc1cc2c(c3ncccc13)NSc1ccc(N3CCCCC3)cc1-2.
What is the InChIKey of 12-chloro-9-piperidin-1-yl-5H-quinolino[8,7-c][1,2]benzothiazine?
The InChIKey is PPCXZMRKZUMPEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3S/c21-17-12-16-15-11-13(24-9-2-1-3-10-24)6-7-18(15)25-23-20(16)19-14(17)5-4-8-22-19/h4-8,11-12,23H,1-3,9-10H2.
What are the key properties of 12-chloro-9-piperidin-1-yl-5H-quinolino[8,7-c][1,2]benzothiazine?
12-chloro-9-piperidin-1-yl-5H-quinolino[8,7-c][1,2]benzothiazine has a molecular weight of 367.91 g/mol, XLogP of 5.98, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 12-chloro-9-piperidin-1-yl-5H-quinolino[8,7-c][1,2]benzothiazine is sourced from PubChem (CID 126516646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).