[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 3-oxo-4H-1,4-benzothiazine-6-carboxylate

C20H18N2O4S — CID 2482467

IUPAC[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 3-oxo-4H-1,4-benzothiazine-6-carboxylate
SMILESO=C1CSc2ccc(C(=O)OCC(=O)N3CCCc4ccccc43)cc2N1
InChIInChI=1S/C20H18N2O4S/c23-18-12-27-17-8-7-14(10-15(17)21-18)20(25)26-11-19(24)22-9-3-5-13-4-1-2-6-16(13)22/h1-2,4,6-8,10H,3,5,9,11-12H2,(H,21,23)
InChIKeyLIRCXSFMGUNAFH-UHFFFAOYSA-N
MW382.44 g/mol
LogP2.87
Rot. Bonds3

About [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 3-oxo-4H-1,4-benzothiazine-6-carboxylate

[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 3-oxo-4H-1,4-benzothiazine-6-carboxylate (PubChem CID 2482467) has the molecular formula C20H18N2O4S and a molecular weight of 382.44 g/mol. Its IUPAC name is [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 3-oxo-4H-1,4-benzothiazine-6-carboxylate.

Molecular Properties

Compound Name[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 3-oxo-4H-1,4-benzothiazine-6-carboxylate
PubChem CID2482467
Molecular FormulaC20H18N2O4S
Molecular Weight382.44 g/mol
Exact Mass382.10
IUPAC Name[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 3-oxo-4H-1,4-benzothiazine-6-carboxylate
SMILESO=C1CSc2ccc(C(=O)OCC(=O)N3CCCc4ccccc43)cc2N1
InChIInChI=1S/C20H18N2O4S/c23-18-12-27-17-8-7-14(10-15(17)21-18)20(25)26-11-19(24)22-9-3-5-13-4-1-2-6-16(13)22/h1-2,4,6-8,10H,3,5,9,11-12H2,(H,21,23)
InChIKeyLIRCXSFMGUNAFH-UHFFFAOYSA-N
XLogP2.87
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 3-oxo-4H-1,4-benzothiazine-6-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

[2-Oxo-2-(2-phenylsulfanylanilino)ethyl] 3-(dimethylamino)benzoate
CID 2079073
methyl 3-oxo-2-piperidin-1-yl-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylate
CID 3240502
Methyl 2-(dipropylamino)-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylate
CID 4083996
Ethyl 3-({[(1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)thio]acetyl}amino)benzoate
CID 15996345
Methyl 2-[4-(3,4-dihydro-2H-1,4-benzothiazin-4-YL)-4-oxobutanamido]benzoate
CID 20899579
[2-(3-Methylanilino)-2-oxoethyl] 2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzoate
CID 24817940
[2-(4-Morpholin-4-ylanilino)-2-oxoethyl] 2-methylsulfanylbenzoate
CID 3625952
[2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 3-oxo-4H-1,4-benzothiazine-6-carboxylate
CID 4877405
[1-(4-fluorophenyl)-1-oxopropan-2-yl] 3-oxo-4H-1,4-benzothiazine-6-carboxylate
CID 16276590
Ethyl 3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylate
CID 4219195
methyl 2-morpholin-4-yl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylate
CID 3236402
Ethyl 3-[(2-ethyl-3,4-dihydro-2H-1,4-benzothiazine-4-carbonyl)amino]benzoate
CID 16020788

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 3-oxo-4H-1,4-benzothiazine-6-carboxylate?
The IUPAC name of [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 3-oxo-4H-1,4-benzothiazine-6-carboxylate (CID 2482467) is [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 3-oxo-4H-1,4-benzothiazine-6-carboxylate.
What is the SMILES notation for [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 3-oxo-4H-1,4-benzothiazine-6-carboxylate?
The canonical SMILES for [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 3-oxo-4H-1,4-benzothiazine-6-carboxylate is O=C1CSc2ccc(C(=O)OCC(=O)N3CCCc4ccccc43)cc2N1.
What is the InChIKey of [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 3-oxo-4H-1,4-benzothiazine-6-carboxylate?
The InChIKey is LIRCXSFMGUNAFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O4S/c23-18-12-27-17-8-7-14(10-15(17)21-18)20(25)26-11-19(24)22-9-3-5-13-4-1-2-6-16(13)22/h1-2,4,6-8,10H,3,5,9,11-12H2,(H,21,23).
What are the key properties of [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 3-oxo-4H-1,4-benzothiazine-6-carboxylate?
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 3-oxo-4H-1,4-benzothiazine-6-carboxylate has a molecular weight of 382.44 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 3-oxo-4H-1,4-benzothiazine-6-carboxylate is sourced from PubChem (CID 2482467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).