methyl 1-methyl-6-(thiophene-2-carbonylamino)-9H-pyrido[3,4-b]indole-3-carboxylate

C19H15N3O3S — CID 162674849

IUPACmethyl 1-methyl-6-(thiophene-2-carbonylamino)-9H-pyrido[3,4-b]indole-3-carboxylate
SMILESCOC(=O)c1cc2c([nH]c3ccc(NC(=O)c4cccs4)cc32)c(C)n1
InChIInChI=1S/C19H15N3O3S/c1-10-17-13(9-15(20-10)19(24)25-2)12-8-11(5-6-14(12)22-17)21-18(23)16-4-3-7-26-16/h3-9,22H,1-2H3,(H,21,23)
InChIKeyDIQGAXOQNVOFFU-UHFFFAOYSA-N
MW365.41 g/mol
LogP4.12
Rot. Bonds3

About methyl 1-methyl-6-(thiophene-2-carbonylamino)-9H-pyrido[3,4-b]indole-3-carboxylate

methyl 1-methyl-6-(thiophene-2-carbonylamino)-9H-pyrido[3,4-b]indole-3-carboxylate (PubChem CID 162674849) has the molecular formula C19H15N3O3S and a molecular weight of 365.41 g/mol. Its IUPAC name is methyl 1-methyl-6-(thiophene-2-carbonylamino)-9H-pyrido[3,4-b]indole-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-methyl-6-(thiophene-2-carbonylamino)-9H-pyrido[3,4-b]indole-3-carboxylate
PubChem CID162674849
Molecular FormulaC19H15N3O3S
Molecular Weight365.41 g/mol
Exact Mass365.08
IUPAC Namemethyl 1-methyl-6-(thiophene-2-carbonylamino)-9H-pyrido[3,4-b]indole-3-carboxylate
SMILESCOC(=O)c1cc2c([nH]c3ccc(NC(=O)c4cccs4)cc32)c(C)n1
InChIInChI=1S/C19H15N3O3S/c1-10-17-13(9-15(20-10)19(24)25-2)12-8-11(5-6-14(12)22-17)21-18(23)16-4-3-7-26-16/h3-9,22H,1-2H3,(H,21,23)
InChIKeyDIQGAXOQNVOFFU-UHFFFAOYSA-N
XLogP4.12
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 1-methyl-6-(thiophene-2-carbonylamino)-9H-pyrido[3,4-b]indole-3-carboxylate with MolForge

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Related Compounds

Methyl 1-methyl-9H-pyrido(3,4-b)indole-3-carboxylate
CID 5291723
methyl 1-carbamoyl-9H-pyrido[3,4-b]indole-3-carboxylate
CID 146382322
methyl 1-phenyl-9H-pyrido[3,4-b]indole-3-carboxylate
CID 5421897
methyl 1-ethyl-9H-pyrido[3,4-b]indole-3-carboxylate
CID 6198021
1-Acetyl-3-Methoxycarbonyl-Beta-Carboline
CID 21763833
6-Thiocyanato-9H-beta-carboline-3-carboxylic acid methyl ester
CID 44384175
2,2,2-trifluoroethyl 6-(thiophen-2-yl)-9H-pyrido[3,4-b]indole-3-carboxylate
CID 52942139
tert-butyl 6-(thiophen-2-yl)-9H-pyrido[3,4-b]indole-3-carboxylate
CID 52945829
dimethyl 9H-beta-carboline-1,3-dicarboxylate
CID 14452290
3-(2-carboxyethyl)-6-thiophen-2-yl-1H-indole-2-carboxylic acid
CID 71281217
6-Methyl-3-(phenylthio)-1H-indole-2-carboxylate
CID 71625633
6-acetamido-4-(4-fluoro-3-thiophen-3-ylanilino)-1H-indole-2-carboxylic acid
CID 162647027

Frequently Asked Questions

What is the IUPAC name of methyl 1-methyl-6-(thiophene-2-carbonylamino)-9H-pyrido[3,4-b]indole-3-carboxylate?
The IUPAC name of methyl 1-methyl-6-(thiophene-2-carbonylamino)-9H-pyrido[3,4-b]indole-3-carboxylate (CID 162674849) is methyl 1-methyl-6-(thiophene-2-carbonylamino)-9H-pyrido[3,4-b]indole-3-carboxylate.
What is the SMILES notation for methyl 1-methyl-6-(thiophene-2-carbonylamino)-9H-pyrido[3,4-b]indole-3-carboxylate?
The canonical SMILES for methyl 1-methyl-6-(thiophene-2-carbonylamino)-9H-pyrido[3,4-b]indole-3-carboxylate is COC(=O)c1cc2c([nH]c3ccc(NC(=O)c4cccs4)cc32)c(C)n1.
What is the InChIKey of methyl 1-methyl-6-(thiophene-2-carbonylamino)-9H-pyrido[3,4-b]indole-3-carboxylate?
The InChIKey is DIQGAXOQNVOFFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O3S/c1-10-17-13(9-15(20-10)19(24)25-2)12-8-11(5-6-14(12)22-17)21-18(23)16-4-3-7-26-16/h3-9,22H,1-2H3,(H,21,23).
What are the key properties of methyl 1-methyl-6-(thiophene-2-carbonylamino)-9H-pyrido[3,4-b]indole-3-carboxylate?
methyl 1-methyl-6-(thiophene-2-carbonylamino)-9H-pyrido[3,4-b]indole-3-carboxylate has a molecular weight of 365.41 g/mol, XLogP of 4.12, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-methyl-6-(thiophene-2-carbonylamino)-9H-pyrido[3,4-b]indole-3-carboxylate is sourced from PubChem (CID 162674849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).