methyl 1-amino-4-methyl-5-oxothieno[2,3-c]isoquinoline-2-carboxylate

C14H12N2O3S — CID 139787208

IUPACmethyl 1-amino-4-methyl-5-oxothieno[2,3-c]isoquinoline-2-carboxylate
SMILESCOC(=O)c1sc2c(c1N)c1ccccc1c(=O)n2C
InChIInChI=1S/C14H12N2O3S/c1-16-12(17)8-6-4-3-5-7(8)9-10(15)11(14(18)19-2)20-13(9)16/h3-6H,15H2,1-2H3
InChIKeyXTMWEPXRWJNPMU-UHFFFAOYSA-N
MW288.33 g/mol
LogP2.12
Rot. Bonds1

About methyl 1-amino-4-methyl-5-oxothieno[2,3-c]isoquinoline-2-carboxylate

methyl 1-amino-4-methyl-5-oxothieno[2,3-c]isoquinoline-2-carboxylate (PubChem CID 139787208) has the molecular formula C14H12N2O3S and a molecular weight of 288.33 g/mol. Its IUPAC name is methyl 1-amino-4-methyl-5-oxothieno[2,3-c]isoquinoline-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-amino-4-methyl-5-oxothieno[2,3-c]isoquinoline-2-carboxylate
PubChem CID139787208
Molecular FormulaC14H12N2O3S
Molecular Weight288.33 g/mol
Exact Mass288.06
IUPAC Namemethyl 1-amino-4-methyl-5-oxothieno[2,3-c]isoquinoline-2-carboxylate
SMILESCOC(=O)c1sc2c(c1N)c1ccccc1c(=O)n2C
InChIInChI=1S/C14H12N2O3S/c1-16-12(17)8-6-4-3-5-7(8)9-10(15)11(14(18)19-2)20-13(9)16/h3-6H,15H2,1-2H3
InChIKeyXTMWEPXRWJNPMU-UHFFFAOYSA-N
XLogP2.12
TPSA74.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 1-amino-4-(2,6-dimethylphenyl)-5-oxothieno[2,3-c]isoquinoline-2-carboxylate
CID 139787233
methyl 1-amino-4-(4-nitrophenyl)-5-oxothieno[2,3-c]isoquinoline-2-carboxylate
CID 139787222
dimethyl 2-benzothiophene-1,3-dicarboxylate
CID 24977408
methyl 3-aminothieno[2,3-b]pyridine-2-carboxylate;pyridine
CID 160853346
methyl 3-(methylamino)-1-benzothiophene-2-carboxylate
CID 12789528
methyl 1-oxo-2-[4-(trifluoromethyl)phenyl]isoquinoline-4-carboxylate
CID 177224176
methyl 2-methyl-1-oxo-4-(trifluoromethylsulfonyloxy)isoquinoline-3-carboxylate
CID 86700721
methyl 3-amino-5-methyl-4-pyridin-2-ylthiophene-2-carboxylate
CID 83971405
methyl 3-(aminomethyl)-1-benzothiophene-2-carboxylate
CID 50988559
ethyl 3-amino-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxylate
CID 11369716
methyl 3-amino-5-(1-benzothiophen-3-yl)-4-methylthiophene-2-carboxylate
CID 63398490
methyl 3-amino-7-nitro-1-benzothiophene-2-carboxylate
CID 12695141

Frequently Asked Questions

What is the IUPAC name of methyl 1-amino-4-methyl-5-oxothieno[2,3-c]isoquinoline-2-carboxylate?
The IUPAC name of methyl 1-amino-4-methyl-5-oxothieno[2,3-c]isoquinoline-2-carboxylate (CID 139787208) is methyl 1-amino-4-methyl-5-oxothieno[2,3-c]isoquinoline-2-carboxylate.
What is the SMILES notation for methyl 1-amino-4-methyl-5-oxothieno[2,3-c]isoquinoline-2-carboxylate?
The canonical SMILES for methyl 1-amino-4-methyl-5-oxothieno[2,3-c]isoquinoline-2-carboxylate is COC(=O)c1sc2c(c1N)c1ccccc1c(=O)n2C.
What is the InChIKey of methyl 1-amino-4-methyl-5-oxothieno[2,3-c]isoquinoline-2-carboxylate?
The InChIKey is XTMWEPXRWJNPMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3S/c1-16-12(17)8-6-4-3-5-7(8)9-10(15)11(14(18)19-2)20-13(9)16/h3-6H,15H2,1-2H3.
What are the key properties of methyl 1-amino-4-methyl-5-oxothieno[2,3-c]isoquinoline-2-carboxylate?
methyl 1-amino-4-methyl-5-oxothieno[2,3-c]isoquinoline-2-carboxylate has a molecular weight of 288.33 g/mol, XLogP of 2.12, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-amino-4-methyl-5-oxothieno[2,3-c]isoquinoline-2-carboxylate is sourced from PubChem (CID 139787208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).