9-chloro-12H-quinoxalino[2,3-b][1,4]benzothiazine

C14H8ClN3S — CID 2728928

IUPAC9-chloro-12H-quinoxalino[2,3-b][1,4]benzothiazine
SMILESClc1ccc2nc3c(nc2c1)Nc1ccccc1S3
InChIInChI=1S/C14H8ClN3S/c15-8-5-6-9-11(7-8)17-13-14(18-9)19-12-4-2-1-3-10(12)16-13/h1-7H,(H,16,17)
InChIKeyKYRHTGQFDHLVRV-UHFFFAOYSA-N
MW285.76 g/mol
LogP4.49
Rot. Bonds

About 9-chloro-12H-quinoxalino[2,3-b][1,4]benzothiazine

9-chloro-12H-quinoxalino[2,3-b][1,4]benzothiazine (PubChem CID 2728928) has the molecular formula C14H8ClN3S and a molecular weight of 285.76 g/mol. Its IUPAC name is 9-chloro-12H-quinoxalino[2,3-b][1,4]benzothiazine.

Molecular Properties

Compound Name9-chloro-12H-quinoxalino[2,3-b][1,4]benzothiazine
PubChem CID2728928
Molecular FormulaC14H8ClN3S
Molecular Weight285.76 g/mol
Exact Mass285.01
IUPAC Name9-chloro-12H-quinoxalino[2,3-b][1,4]benzothiazine
SMILESClc1ccc2nc3c(nc2c1)Nc1ccccc1S3
InChIInChI=1S/C14H8ClN3S/c15-8-5-6-9-11(7-8)17-13-14(18-9)19-12-4-2-1-3-10(12)16-13/h1-7H,(H,16,17)
InChIKeyKYRHTGQFDHLVRV-UHFFFAOYSA-N
XLogP4.49
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.76
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-chloro-12H-quinoxalino[2,3-b][1,4]benzothiazine?
The IUPAC name of 9-chloro-12H-quinoxalino[2,3-b][1,4]benzothiazine (CID 2728928) is 9-chloro-12H-quinoxalino[2,3-b][1,4]benzothiazine.
What is the SMILES notation for 9-chloro-12H-quinoxalino[2,3-b][1,4]benzothiazine?
The canonical SMILES for 9-chloro-12H-quinoxalino[2,3-b][1,4]benzothiazine is Clc1ccc2nc3c(nc2c1)Nc1ccccc1S3.
What is the InChIKey of 9-chloro-12H-quinoxalino[2,3-b][1,4]benzothiazine?
The InChIKey is KYRHTGQFDHLVRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClN3S/c15-8-5-6-9-11(7-8)17-13-14(18-9)19-12-4-2-1-3-10(12)16-13/h1-7H,(H,16,17).
What are the key properties of 9-chloro-12H-quinoxalino[2,3-b][1,4]benzothiazine?
9-chloro-12H-quinoxalino[2,3-b][1,4]benzothiazine has a molecular weight of 285.76 g/mol, XLogP of 4.49, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-chloro-12H-quinoxalino[2,3-b][1,4]benzothiazine is sourced from PubChem (CID 2728928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).