2,9-dimethyl-5,12-dihydroquinolino[3,4-b][1,4]benzothiazin-6-one

C17H14N2OS — CID 132560724

IUPAC2,9-dimethyl-5,12-dihydroquinolino[3,4-b][1,4]benzothiazin-6-one
SMILESCc1ccc2c(c1)Sc1c(c3cc(C)ccc3[nH]c1=O)N2
InChIInChI=1S/C17H14N2OS/c1-9-3-5-12-11(7-9)15-16(17(20)19-12)21-14-8-10(2)4-6-13(14)18-15/h3-8,18H,1-2H3,(H,19,20)
InChIKeyVUFDMQKYBWUPEG-UHFFFAOYSA-N
MW294.38 g/mol
LogP4.35
Rot. Bonds

About 2,9-dimethyl-5,12-dihydroquinolino[3,4-b][1,4]benzothiazin-6-one

2,9-dimethyl-5,12-dihydroquinolino[3,4-b][1,4]benzothiazin-6-one (PubChem CID 132560724) has the molecular formula C17H14N2OS and a molecular weight of 294.38 g/mol. Its IUPAC name is 2,9-dimethyl-5,12-dihydroquinolino[3,4-b][1,4]benzothiazin-6-one.

Molecular Properties

Compound Name2,9-dimethyl-5,12-dihydroquinolino[3,4-b][1,4]benzothiazin-6-one
PubChem CID132560724
Molecular FormulaC17H14N2OS
Molecular Weight294.38 g/mol
Exact Mass294.08
IUPAC Name2,9-dimethyl-5,12-dihydroquinolino[3,4-b][1,4]benzothiazin-6-one
SMILESCc1ccc2c(c1)Sc1c(c3cc(C)ccc3[nH]c1=O)N2
InChIInChI=1S/C17H14N2OS/c1-9-3-5-12-11(7-9)15-16(17(20)19-12)21-14-8-10(2)4-6-13(14)18-15/h3-8,18H,1-2H3,(H,19,20)
InChIKeyVUFDMQKYBWUPEG-UHFFFAOYSA-N
XLogP4.35
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2,9-dimethyl-5,12-dihydroquinolino[3,4-b][1,4]benzothiazin-6-one with MolForge

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Related Compounds

2,5-dimethyl-12H-quinolino[3,4-b][1,4]benzothiazin-6-one
CID 24975744
2,7-dimethyl-10H-acridin-9-one
CID 13293445
3,6-dimethyl-9H-carbazole
CID 144942624
8-methyl-1-(phenylmethoxymethyl)-5H-pyrimido[4,5-b][1,4]benzothiazine-2,4-dione
CID 506485
2,8-dimethyl-5,11-dihydroquinolino[3,2-b]quinoline-6,12-dione
CID 24764365
8-methyl-1,2,3,5-tetrahydrocyclopenta[c]quinolin-4-one
CID 22462487
8-methyl-5H-phenanthridin-6-one
CID 102200304
2,3,5-trimethyl-1H-indole;vanadium
CID 159816698
6-methyl-1,4-dihydroquinoxaline-2,3-dione;molecular hydrogen
CID 145445057
6-methyl-9H-carbazole-1,4-dione
CID 53244095
3-methoxy-7-methyl-10H-phenothiazine
CID 118537045
2,2,7-trimethyl-3,10-dihydro-1H-phenothiazin-4-one
CID 11129027

Frequently Asked Questions

What is the IUPAC name of 2,9-dimethyl-5,12-dihydroquinolino[3,4-b][1,4]benzothiazin-6-one?
The IUPAC name of 2,9-dimethyl-5,12-dihydroquinolino[3,4-b][1,4]benzothiazin-6-one (CID 132560724) is 2,9-dimethyl-5,12-dihydroquinolino[3,4-b][1,4]benzothiazin-6-one.
What is the SMILES notation for 2,9-dimethyl-5,12-dihydroquinolino[3,4-b][1,4]benzothiazin-6-one?
The canonical SMILES for 2,9-dimethyl-5,12-dihydroquinolino[3,4-b][1,4]benzothiazin-6-one is Cc1ccc2c(c1)Sc1c(c3cc(C)ccc3[nH]c1=O)N2.
What is the InChIKey of 2,9-dimethyl-5,12-dihydroquinolino[3,4-b][1,4]benzothiazin-6-one?
The InChIKey is VUFDMQKYBWUPEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2OS/c1-9-3-5-12-11(7-9)15-16(17(20)19-12)21-14-8-10(2)4-6-13(14)18-15/h3-8,18H,1-2H3,(H,19,20).
What are the key properties of 2,9-dimethyl-5,12-dihydroquinolino[3,4-b][1,4]benzothiazin-6-one?
2,9-dimethyl-5,12-dihydroquinolino[3,4-b][1,4]benzothiazin-6-one has a molecular weight of 294.38 g/mol, XLogP of 4.35, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-dimethyl-5,12-dihydroquinolino[3,4-b][1,4]benzothiazin-6-one is sourced from PubChem (CID 132560724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).