2,5-dimethyl-12H-quinolino[3,4-b][1,4]benzothiazin-6-one

C17H14N2OS — CID 24975744

IUPAC2,5-dimethyl-12H-quinolino[3,4-b][1,4]benzothiazin-6-one
SMILESCc1ccc2c(c1)c1c(c(=O)n2C)Sc2ccccc2N1
InChIInChI=1S/C17H14N2OS/c1-10-7-8-13-11(9-10)15-16(17(20)19(13)2)21-14-6-4-3-5-12(14)18-15/h3-9,18H,1-2H3
InChIKeyXPIUXCVCSLBQDJ-UHFFFAOYSA-N
MW294.38 g/mol
LogP4.06
Rot. Bonds

About 2,5-dimethyl-12H-quinolino[3,4-b][1,4]benzothiazin-6-one

2,5-dimethyl-12H-quinolino[3,4-b][1,4]benzothiazin-6-one (PubChem CID 24975744) has the molecular formula C17H14N2OS and a molecular weight of 294.38 g/mol. Its IUPAC name is 2,5-dimethyl-12H-quinolino[3,4-b][1,4]benzothiazin-6-one.

Molecular Properties

Compound Name2,5-dimethyl-12H-quinolino[3,4-b][1,4]benzothiazin-6-one
PubChem CID24975744
Molecular FormulaC17H14N2OS
Molecular Weight294.38 g/mol
Exact Mass294.08
IUPAC Name2,5-dimethyl-12H-quinolino[3,4-b][1,4]benzothiazin-6-one
SMILESCc1ccc2c(c1)c1c(c(=O)n2C)Sc2ccccc2N1
InChIInChI=1S/C17H14N2OS/c1-10-7-8-13-11(9-10)15-16(17(20)19(13)2)21-14-6-4-3-5-12(14)18-15/h3-9,18H,1-2H3
InChIKeyXPIUXCVCSLBQDJ-UHFFFAOYSA-N
XLogP4.06
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,2,3,4-tetramethyl-10H-phenothiazine
CID 91137984
2-methyl-10H-phenothiazine
CID 611628
2,9-dimethyl-5,12-dihydroquinolino[3,4-b][1,4]benzothiazin-6-one
CID 132560724
1,3,6-trimethylquinazoline-2,4-dione
CID 58376355
16,20-dimethyl-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14(19),15,17,21,23-dodecaene
CID 164939565
3,9-dimethyl-6-phenylcarbazole
CID 59499447
2,5-dimethyl-6H-indolo[2,3-b]quinolin-11-one
CID 139219477
3-(7-methylthianthren-2-yl)-10H-phenothiazine
CID 175624592
5,10-dimethyl-12H-quinolino[3,4-b][1,4]benzothiazin-5-ium
CID 10591401
1-methyl-10H-phenothiazine-4-carbaldehyde
CID 150565297
2-[(4-methylphenyl)methylidene]-4H-1,4-benzothiazin-3-one
CID 4278965
2,3,4-trifluoro-1-methyl-10H-phenothiazine
CID 69485794

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-12H-quinolino[3,4-b][1,4]benzothiazin-6-one?
The IUPAC name of 2,5-dimethyl-12H-quinolino[3,4-b][1,4]benzothiazin-6-one (CID 24975744) is 2,5-dimethyl-12H-quinolino[3,4-b][1,4]benzothiazin-6-one.
What is the SMILES notation for 2,5-dimethyl-12H-quinolino[3,4-b][1,4]benzothiazin-6-one?
The canonical SMILES for 2,5-dimethyl-12H-quinolino[3,4-b][1,4]benzothiazin-6-one is Cc1ccc2c(c1)c1c(c(=O)n2C)Sc2ccccc2N1.
What is the InChIKey of 2,5-dimethyl-12H-quinolino[3,4-b][1,4]benzothiazin-6-one?
The InChIKey is XPIUXCVCSLBQDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2OS/c1-10-7-8-13-11(9-10)15-16(17(20)19(13)2)21-14-6-4-3-5-12(14)18-15/h3-9,18H,1-2H3.
What are the key properties of 2,5-dimethyl-12H-quinolino[3,4-b][1,4]benzothiazin-6-one?
2,5-dimethyl-12H-quinolino[3,4-b][1,4]benzothiazin-6-one has a molecular weight of 294.38 g/mol, XLogP of 4.06, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-12H-quinolino[3,4-b][1,4]benzothiazin-6-one is sourced from PubChem (CID 24975744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).