ethyl 9-amino-6-cyano-7-(4-methoxyphenyl)-11-oxo-7H-pyrido[2,1-b][1,3]benzothiazine-8-carboxylate

C23H19N3O4S — CID 17273371

IUPACethyl 9-amino-6-cyano-7-(4-methoxyphenyl)-11-oxo-7H-pyrido[2,1-b][1,3]benzothiazine-8-carboxylate
SMILESCCOC(=O)C1=C(N)N2C(=O)c3ccccc3SC2=C(C#N)C1c1ccc(OC)cc1
InChIInChI=1S/C23H19N3O4S/c1-3-30-23(28)19-18(13-8-10-14(29-2)11-9-13)16(12-24)22-26(20(19)25)21(27)15-6-4-5-7-17(15)31-22/h4-11,18H,3,25H2,1-2H3
InChIKeyIZNLDMQEEBJMQB-UHFFFAOYSA-N
MW433.49 g/mol
LogP3.51
Rot. Bonds4

About ethyl 9-amino-6-cyano-7-(4-methoxyphenyl)-11-oxo-7H-pyrido[2,1-b][1,3]benzothiazine-8-carboxylate

ethyl 9-amino-6-cyano-7-(4-methoxyphenyl)-11-oxo-7H-pyrido[2,1-b][1,3]benzothiazine-8-carboxylate (PubChem CID 17273371) has the molecular formula C23H19N3O4S and a molecular weight of 433.49 g/mol. Its IUPAC name is ethyl 9-amino-6-cyano-7-(4-methoxyphenyl)-11-oxo-7H-pyrido[2,1-b][1,3]benzothiazine-8-carboxylate.

Molecular Properties

Compound Nameethyl 9-amino-6-cyano-7-(4-methoxyphenyl)-11-oxo-7H-pyrido[2,1-b][1,3]benzothiazine-8-carboxylate
PubChem CID17273371
Molecular FormulaC23H19N3O4S
Molecular Weight433.49 g/mol
Exact Mass433.11
IUPAC Nameethyl 9-amino-6-cyano-7-(4-methoxyphenyl)-11-oxo-7H-pyrido[2,1-b][1,3]benzothiazine-8-carboxylate
SMILESCCOC(=O)C1=C(N)N2C(=O)c3ccccc3SC2=C(C#N)C1c1ccc(OC)cc1
InChIInChI=1S/C23H19N3O4S/c1-3-30-23(28)19-18(13-8-10-14(29-2)11-9-13)16(12-24)22-26(20(19)25)21(27)15-6-4-5-7-17(15)31-22/h4-11,18H,3,25H2,1-2H3
InChIKeyIZNLDMQEEBJMQB-UHFFFAOYSA-N
XLogP3.51
TPSA105.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.49
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 9-amino-6-cyano-7-(4-methoxyphenyl)-11-oxo-7H-pyrido[2,1-b][1,3]benzothiazine-8-carboxylate with MolForge

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Related Compounds

ethyl 9-amino-6-cyano-7-(3-methoxyphenyl)-11-oxo-7H-pyrido[2,1-b][1,3]benzothiazine-8-carboxylate
CID 17273373
methyl 9-amino-6-cyano-11-oxo-7-phenyl-7H-pyrido[2,1-b][1,3]benzothiazine-8-carboxylate
CID 17273350
ethyl 9-amino-6-cyano-7-(2-fluorophenyl)-11-oxo-7H-pyrido[2,1-b][1,3]benzothiazine-8-carboxylate
CID 17273372
(7S)-9-amino-7-(3-methoxyphenyl)-11-oxo-7H-pyrido[2,1-b][1,3]benzothiazine-6,8-dicarbonitrile
CID 7347031
(7R)-9-amino-11-oxo-7-(3,4,5-trimethoxyphenyl)-7H-pyrido[2,1-b][1,3]benzothiazine-6,8-dicarbonitrile
CID 41177768
diethyl 6-amino-5-cyano-1,4-bis(4-methoxyphenyl)-4H-pyridine-2,3-dicarboxylate
CID 137332333
ethyl (2S,7S)-5-amino-6-cyano-2-(2-methoxy-2-oxoethyl)-7-(4-methoxyphenyl)-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate
CID 2720439
diethyl 6-amino-4-(4-bromophenyl)-5-cyano-1-(4-methoxyphenyl)-4H-pyridine-2,3-dicarboxylate
CID 137332329
diethyl (2R,7S)-5-amino-7-(4-methoxyphenyl)-2-methyl-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarboxylate
CID 41177720
9-amino-7-(2-fluorophenyl)-11-oxo-7H-pyrido[2,1-b][1,3]benzothiazine-6,8-dicarbonitrile
CID 5301314
ethyl 15-amino-14-cyano-13-(4-methoxyphenyl)-4,6-dimethyl-2-oxo-9-thia-1,7-diazatricyclo[9.4.0.03,8]pentadeca-3(8),4,6,11,14-pentaene-12-carboxylate
CID 23769877
ethyl (1R,3R)-4-cyano-1-(4-methoxyphenyl)-2,3-dihydro-1H-pyrido[2,1-b][1,3]benzothiazole-3-carboxylate
CID 10786700

Frequently Asked Questions

What is the IUPAC name of ethyl 9-amino-6-cyano-7-(4-methoxyphenyl)-11-oxo-7H-pyrido[2,1-b][1,3]benzothiazine-8-carboxylate?
The IUPAC name of ethyl 9-amino-6-cyano-7-(4-methoxyphenyl)-11-oxo-7H-pyrido[2,1-b][1,3]benzothiazine-8-carboxylate (CID 17273371) is ethyl 9-amino-6-cyano-7-(4-methoxyphenyl)-11-oxo-7H-pyrido[2,1-b][1,3]benzothiazine-8-carboxylate.
What is the SMILES notation for ethyl 9-amino-6-cyano-7-(4-methoxyphenyl)-11-oxo-7H-pyrido[2,1-b][1,3]benzothiazine-8-carboxylate?
The canonical SMILES for ethyl 9-amino-6-cyano-7-(4-methoxyphenyl)-11-oxo-7H-pyrido[2,1-b][1,3]benzothiazine-8-carboxylate is CCOC(=O)C1=C(N)N2C(=O)c3ccccc3SC2=C(C#N)C1c1ccc(OC)cc1.
What is the InChIKey of ethyl 9-amino-6-cyano-7-(4-methoxyphenyl)-11-oxo-7H-pyrido[2,1-b][1,3]benzothiazine-8-carboxylate?
The InChIKey is IZNLDMQEEBJMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O4S/c1-3-30-23(28)19-18(13-8-10-14(29-2)11-9-13)16(12-24)22-26(20(19)25)21(27)15-6-4-5-7-17(15)31-22/h4-11,18H,3,25H2,1-2H3.
What are the key properties of ethyl 9-amino-6-cyano-7-(4-methoxyphenyl)-11-oxo-7H-pyrido[2,1-b][1,3]benzothiazine-8-carboxylate?
ethyl 9-amino-6-cyano-7-(4-methoxyphenyl)-11-oxo-7H-pyrido[2,1-b][1,3]benzothiazine-8-carboxylate has a molecular weight of 433.49 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 9-amino-6-cyano-7-(4-methoxyphenyl)-11-oxo-7H-pyrido[2,1-b][1,3]benzothiazine-8-carboxylate is sourced from PubChem (CID 17273371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).