1-(6,6-dioxo-5H-quinolino[8,7-c][1,2]benzothiazin-12-yl)-4-piperidin-1-ylbutan-1-one

C24H25N3O3S — CID 147259342

IUPAC1-(6,6-dioxo-5H-quinolino[8,7-c][1,2]benzothiazin-12-yl)-4-piperidin-1-ylbutan-1-one
SMILESO=C(CCCN1CCCCC1)c1cc2c(c3ncccc13)NS(=O)(=O)c1ccccc1-2
InChIInChI=1S/C24H25N3O3S/c28-21(10-7-15-27-13-4-1-5-14-27)19-16-20-17-8-2-3-11-22(17)31(29,30)26-24(20)23-18(19)9-6-12-25-23/h2-3,6,8-9,11-12,16,26H,1,4-5,7,10,13-15H2
InChIKeyCOGCHHSSAHPVPW-UHFFFAOYSA-N
MW435.55 g/mol
LogP4.46
Rot. Bonds5

About 1-(6,6-dioxo-5H-quinolino[8,7-c][1,2]benzothiazin-12-yl)-4-piperidin-1-ylbutan-1-one

1-(6,6-dioxo-5H-quinolino[8,7-c][1,2]benzothiazin-12-yl)-4-piperidin-1-ylbutan-1-one (PubChem CID 147259342) has the molecular formula C24H25N3O3S and a molecular weight of 435.55 g/mol. Its IUPAC name is 1-(6,6-dioxo-5H-quinolino[8,7-c][1,2]benzothiazin-12-yl)-4-piperidin-1-ylbutan-1-one.

Molecular Properties

Compound Name1-(6,6-dioxo-5H-quinolino[8,7-c][1,2]benzothiazin-12-yl)-4-piperidin-1-ylbutan-1-one
PubChem CID147259342
Molecular FormulaC24H25N3O3S
Molecular Weight435.55 g/mol
Exact Mass435.16
IUPAC Name1-(6,6-dioxo-5H-quinolino[8,7-c][1,2]benzothiazin-12-yl)-4-piperidin-1-ylbutan-1-one
SMILESO=C(CCCN1CCCCC1)c1cc2c(c3ncccc13)NS(=O)(=O)c1ccccc1-2
InChIInChI=1S/C24H25N3O3S/c28-21(10-7-15-27-13-4-1-5-14-27)19-16-20-17-8-2-3-11-22(17)31(29,30)26-24(20)23-18(19)9-6-12-25-23/h2-3,6,8-9,11-12,16,26H,1,4-5,7,10,13-15H2
InChIKeyCOGCHHSSAHPVPW-UHFFFAOYSA-N
XLogP4.46
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.55
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(6,6-dioxo-5H-quinolino[8,7-c][1,2]benzothiazin-12-yl)-4-piperidin-1-ylbutan-1-one with MolForge

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Related Compounds

1-(6,6-dioxo-5H-quinolino[8,7-c][1,2]benzothiazin-12-yl)-2-morpholin-4-ylethanol
CID 123857887
3-(azepan-1-yl)-1-(8-methoxyquinolin-5-yl)propan-1-one
CID 93193167
1-naphthalen-1-yl-6-piperidin-1-ylhexan-1-one
CID 54160942
1-(1-benzothiophen-3-yl)-4-piperidin-1-ylbutan-1-one
CID 3046060
1-(7,7-dimethyl-5-pyridin-2-yl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidin-3-yl)-4-piperidin-1-ylbutan-1-one
CID 158996612
1-[2-(furan-2-yl)quinolin-4-yl]-5-piperidin-1-ylpentan-1-one
CID 149146668
1-(2-aminophenyl)-6-piperidin-1-ylhexan-1-one
CID 54276686
5-(3-pyrrolidin-1-ylprop-1-en-2-yl)-11H-indeno[1,2-h]quinolin-11-amine
CID 126516559
5-(azepan-1-yl)-1-naphthalen-2-ylpentan-1-one
CID 59229826
2-chloro-N-(3-piperidin-1-ylpropyl)pyridine-3-carboxamide
CID 60668245
(E)-but-2-enedioic acid;6-phenyl-11-(3-piperidin-1-ylpropyl)pyrido[2,3-b][1,4]benzodiazepine
CID 15586673
3-pyrrolidin-1-yl-1-[10-(3-pyrrolidin-1-ylpropanoyl)anthracen-9-yl]propan-1-one
CID 139708502

Frequently Asked Questions

What is the IUPAC name of 1-(6,6-dioxo-5H-quinolino[8,7-c][1,2]benzothiazin-12-yl)-4-piperidin-1-ylbutan-1-one?
The IUPAC name of 1-(6,6-dioxo-5H-quinolino[8,7-c][1,2]benzothiazin-12-yl)-4-piperidin-1-ylbutan-1-one (CID 147259342) is 1-(6,6-dioxo-5H-quinolino[8,7-c][1,2]benzothiazin-12-yl)-4-piperidin-1-ylbutan-1-one.
What is the SMILES notation for 1-(6,6-dioxo-5H-quinolino[8,7-c][1,2]benzothiazin-12-yl)-4-piperidin-1-ylbutan-1-one?
The canonical SMILES for 1-(6,6-dioxo-5H-quinolino[8,7-c][1,2]benzothiazin-12-yl)-4-piperidin-1-ylbutan-1-one is O=C(CCCN1CCCCC1)c1cc2c(c3ncccc13)NS(=O)(=O)c1ccccc1-2.
What is the InChIKey of 1-(6,6-dioxo-5H-quinolino[8,7-c][1,2]benzothiazin-12-yl)-4-piperidin-1-ylbutan-1-one?
The InChIKey is COGCHHSSAHPVPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3S/c28-21(10-7-15-27-13-4-1-5-14-27)19-16-20-17-8-2-3-11-22(17)31(29,30)26-24(20)23-18(19)9-6-12-25-23/h2-3,6,8-9,11-12,16,26H,1,4-5,7,10,13-15H2.
What are the key properties of 1-(6,6-dioxo-5H-quinolino[8,7-c][1,2]benzothiazin-12-yl)-4-piperidin-1-ylbutan-1-one?
1-(6,6-dioxo-5H-quinolino[8,7-c][1,2]benzothiazin-12-yl)-4-piperidin-1-ylbutan-1-one has a molecular weight of 435.55 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,6-dioxo-5H-quinolino[8,7-c][1,2]benzothiazin-12-yl)-4-piperidin-1-ylbutan-1-one is sourced from PubChem (CID 147259342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).