3,4-dihydro-2H-quinolin-1-yl-(6-ethyl-5,5-dioxobenzo[c][1,2]benzothiazin-9-yl)methanone

C24H22N2O3S — CID 50814794

IUPAC3,4-dihydro-2H-quinolin-1-yl-(6-ethyl-5,5-dioxobenzo[c][1,2]benzothiazin-9-yl)methanone
SMILESCCN1c2ccc(C(=O)N3CCCc4ccccc43)cc2-c2ccccc2S1(=O)=O
InChIInChI=1S/C24H22N2O3S/c1-2-26-22-14-13-18(16-20(22)19-10-4-6-12-23(19)30(26,28)29)24(27)25-15-7-9-17-8-3-5-11-21(17)25/h3-6,8,10-14,16H,2,7,9,15H2,1H3
InChIKeyQKVBMLIDMSZWOC-UHFFFAOYSA-N
MW418.52 g/mol
LogP4.48
Rot. Bonds2

About 3,4-dihydro-2H-quinolin-1-yl-(6-ethyl-5,5-dioxobenzo[c][1,2]benzothiazin-9-yl)methanone

3,4-dihydro-2H-quinolin-1-yl-(6-ethyl-5,5-dioxobenzo[c][1,2]benzothiazin-9-yl)methanone (PubChem CID 50814794) has the molecular formula C24H22N2O3S and a molecular weight of 418.52 g/mol. Its IUPAC name is 3,4-dihydro-2H-quinolin-1-yl-(6-ethyl-5,5-dioxobenzo[c][1,2]benzothiazin-9-yl)methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-quinolin-1-yl-(6-ethyl-5,5-dioxobenzo[c][1,2]benzothiazin-9-yl)methanone
PubChem CID50814794
Molecular FormulaC24H22N2O3S
Molecular Weight418.52 g/mol
Exact Mass418.14
IUPAC Name3,4-dihydro-2H-quinolin-1-yl-(6-ethyl-5,5-dioxobenzo[c][1,2]benzothiazin-9-yl)methanone
SMILESCCN1c2ccc(C(=O)N3CCCc4ccccc43)cc2-c2ccccc2S1(=O)=O
InChIInChI=1S/C24H22N2O3S/c1-2-26-22-14-13-18(16-20(22)19-10-4-6-12-23(19)30(26,28)29)24(27)25-15-7-9-17-8-3-5-11-21(17)25/h3-6,8,10-14,16H,2,7,9,15H2,1H3
InChIKeyQKVBMLIDMSZWOC-UHFFFAOYSA-N
XLogP4.48
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3,4-dihydro-2H-quinolin-1-yl-(6-ethyl-5,5-dioxobenzo[c][1,2]benzothiazin-9-yl)methanone with MolForge

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Related Compounds

3-(3,4-dihydro-2H-quinoline-1-carbonyl)-10,10-dioxothioxanthen-9-one
CID 2307091
3,4-dihydro-2H-quinolin-1-yl-(3,4-dimethylphenyl)methanone
CID 776290
(3-chloro-4-methylphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 806851
3,4-dihydro-2H-quinolin-1-yl-(3-methylphenyl)methanone
CID 669077
[4-(chloromethyl)phenyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 43333292
3,4-dihydro-2H-quinolin-1-yl-[4-(1,1-dioxothiazinan-2-yl)-3-methylphenyl]methanone
CID 7685923
6-ethyl-5,5-dioxo-N-[2-(piperidine-1-carbonyl)phenyl]benzo[c][1,2]benzothiazine-9-carboxamide
CID 46368482
3,4-dihydro-2H-quinolin-1-yl-[4-(methylsulfonylmethyl)phenyl]methanone
CID 26911087
[4-(aminomethyl)-3-methylphenyl]-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone
CID 15896086
N-[3-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]propanamide
CID 17309643
N-(3,4-dimethylphenyl)-6-ethyl-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide
CID 50814649
(4-aminophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 2984117

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-(6-ethyl-5,5-dioxobenzo[c][1,2]benzothiazin-9-yl)methanone?
The IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-(6-ethyl-5,5-dioxobenzo[c][1,2]benzothiazin-9-yl)methanone (CID 50814794) is 3,4-dihydro-2H-quinolin-1-yl-(6-ethyl-5,5-dioxobenzo[c][1,2]benzothiazin-9-yl)methanone.
What is the SMILES notation for 3,4-dihydro-2H-quinolin-1-yl-(6-ethyl-5,5-dioxobenzo[c][1,2]benzothiazin-9-yl)methanone?
The canonical SMILES for 3,4-dihydro-2H-quinolin-1-yl-(6-ethyl-5,5-dioxobenzo[c][1,2]benzothiazin-9-yl)methanone is CCN1c2ccc(C(=O)N3CCCc4ccccc43)cc2-c2ccccc2S1(=O)=O.
What is the InChIKey of 3,4-dihydro-2H-quinolin-1-yl-(6-ethyl-5,5-dioxobenzo[c][1,2]benzothiazin-9-yl)methanone?
The InChIKey is QKVBMLIDMSZWOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O3S/c1-2-26-22-14-13-18(16-20(22)19-10-4-6-12-23(19)30(26,28)29)24(27)25-15-7-9-17-8-3-5-11-21(17)25/h3-6,8,10-14,16H,2,7,9,15H2,1H3.
What are the key properties of 3,4-dihydro-2H-quinolin-1-yl-(6-ethyl-5,5-dioxobenzo[c][1,2]benzothiazin-9-yl)methanone?
3,4-dihydro-2H-quinolin-1-yl-(6-ethyl-5,5-dioxobenzo[c][1,2]benzothiazin-9-yl)methanone has a molecular weight of 418.52 g/mol, XLogP of 4.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-quinolin-1-yl-(6-ethyl-5,5-dioxobenzo[c][1,2]benzothiazin-9-yl)methanone is sourced from PubChem (CID 50814794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).