2-quinolin-3-yl-1,3-benzothiazin-4-one

C17H10N2OS — CID 59750384

IUPAC2-quinolin-3-yl-1,3-benzothiazin-4-one
SMILESO=c1nc(-c2cnc3ccccc3c2)sc2ccccc12
InChIInChI=1S/C17H10N2OS/c20-16-13-6-2-4-8-15(13)21-17(19-16)12-9-11-5-1-3-7-14(11)18-10-12/h1-10H
InChIKeyWFVPNDHLXGILOH-UHFFFAOYSA-N
MW290.35 g/mol
LogP3.87
Rot. Bonds1

About 2-quinolin-3-yl-1,3-benzothiazin-4-one

2-quinolin-3-yl-1,3-benzothiazin-4-one (PubChem CID 59750384) has the molecular formula C17H10N2OS and a molecular weight of 290.35 g/mol. Its IUPAC name is 2-quinolin-3-yl-1,3-benzothiazin-4-one.

Molecular Properties

Compound Name2-quinolin-3-yl-1,3-benzothiazin-4-one
PubChem CID59750384
Molecular FormulaC17H10N2OS
Molecular Weight290.35 g/mol
Exact Mass290.05
IUPAC Name2-quinolin-3-yl-1,3-benzothiazin-4-one
SMILESO=c1nc(-c2cnc3ccccc3c2)sc2ccccc12
InChIInChI=1S/C17H10N2OS/c20-16-13-6-2-4-8-15(13)21-17(19-16)12-9-11-5-1-3-7-14(11)18-10-12/h1-10H
InChIKeyWFVPNDHLXGILOH-UHFFFAOYSA-N
XLogP3.87
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-quinolin-3-yl-1,3-benzothiazin-4-one?
The IUPAC name of 2-quinolin-3-yl-1,3-benzothiazin-4-one (CID 59750384) is 2-quinolin-3-yl-1,3-benzothiazin-4-one.
What is the SMILES notation for 2-quinolin-3-yl-1,3-benzothiazin-4-one?
The canonical SMILES for 2-quinolin-3-yl-1,3-benzothiazin-4-one is O=c1nc(-c2cnc3ccccc3c2)sc2ccccc12.
What is the InChIKey of 2-quinolin-3-yl-1,3-benzothiazin-4-one?
The InChIKey is WFVPNDHLXGILOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10N2OS/c20-16-13-6-2-4-8-15(13)21-17(19-16)12-9-11-5-1-3-7-14(11)18-10-12/h1-10H.
What are the key properties of 2-quinolin-3-yl-1,3-benzothiazin-4-one?
2-quinolin-3-yl-1,3-benzothiazin-4-one has a molecular weight of 290.35 g/mol, XLogP of 3.87, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-quinolin-3-yl-1,3-benzothiazin-4-one is sourced from PubChem (CID 59750384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).