ethyl 4-oxo-3-thiophen-2-yl-1,9-dihydropyrrolo[2,3-b]quinoline-2-carboxylate

C18H14N2O3S — CID 177406339

IUPACethyl 4-oxo-3-thiophen-2-yl-1,9-dihydropyrrolo[2,3-b]quinoline-2-carboxylate
SMILESCCOC(=O)c1[nH]c2[nH]c3ccccc3c(=O)c2c1-c1cccs1
InChIInChI=1S/C18H14N2O3S/c1-2-23-18(22)15-13(12-8-5-9-24-12)14-16(21)10-6-3-4-7-11(10)19-17(14)20-15/h3-9H,2H2,1H3,(H2,19,20,21)
InChIKeySAUNMHLVYJXHEP-UHFFFAOYSA-N
MW338.39 g/mol
LogP3.91
Rot. Bonds3

About ethyl 4-oxo-3-thiophen-2-yl-1,9-dihydropyrrolo[2,3-b]quinoline-2-carboxylate

ethyl 4-oxo-3-thiophen-2-yl-1,9-dihydropyrrolo[2,3-b]quinoline-2-carboxylate (PubChem CID 177406339) has the molecular formula C18H14N2O3S and a molecular weight of 338.39 g/mol. Its IUPAC name is ethyl 4-oxo-3-thiophen-2-yl-1,9-dihydropyrrolo[2,3-b]quinoline-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-oxo-3-thiophen-2-yl-1,9-dihydropyrrolo[2,3-b]quinoline-2-carboxylate
PubChem CID177406339
Molecular FormulaC18H14N2O3S
Molecular Weight338.39 g/mol
Exact Mass338.07
IUPAC Nameethyl 4-oxo-3-thiophen-2-yl-1,9-dihydropyrrolo[2,3-b]quinoline-2-carboxylate
SMILESCCOC(=O)c1[nH]c2[nH]c3ccccc3c(=O)c2c1-c1cccs1
InChIInChI=1S/C18H14N2O3S/c1-2-23-18(22)15-13(12-8-5-9-24-12)14-16(21)10-6-3-4-7-11(10)19-17(14)20-15/h3-9H,2H2,1H3,(H2,19,20,21)
InChIKeySAUNMHLVYJXHEP-UHFFFAOYSA-N
XLogP3.91
TPSA74.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-oxo-3-thiophen-2-yl-1,9-dihydropyrrolo[2,3-b]quinoline-2-carboxylate?
The IUPAC name of ethyl 4-oxo-3-thiophen-2-yl-1,9-dihydropyrrolo[2,3-b]quinoline-2-carboxylate (CID 177406339) is ethyl 4-oxo-3-thiophen-2-yl-1,9-dihydropyrrolo[2,3-b]quinoline-2-carboxylate.
What is the SMILES notation for ethyl 4-oxo-3-thiophen-2-yl-1,9-dihydropyrrolo[2,3-b]quinoline-2-carboxylate?
The canonical SMILES for ethyl 4-oxo-3-thiophen-2-yl-1,9-dihydropyrrolo[2,3-b]quinoline-2-carboxylate is CCOC(=O)c1[nH]c2[nH]c3ccccc3c(=O)c2c1-c1cccs1.
What is the InChIKey of ethyl 4-oxo-3-thiophen-2-yl-1,9-dihydropyrrolo[2,3-b]quinoline-2-carboxylate?
The InChIKey is SAUNMHLVYJXHEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O3S/c1-2-23-18(22)15-13(12-8-5-9-24-12)14-16(21)10-6-3-4-7-11(10)19-17(14)20-15/h3-9H,2H2,1H3,(H2,19,20,21).
What are the key properties of ethyl 4-oxo-3-thiophen-2-yl-1,9-dihydropyrrolo[2,3-b]quinoline-2-carboxylate?
ethyl 4-oxo-3-thiophen-2-yl-1,9-dihydropyrrolo[2,3-b]quinoline-2-carboxylate has a molecular weight of 338.39 g/mol, XLogP of 3.91, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-oxo-3-thiophen-2-yl-1,9-dihydropyrrolo[2,3-b]quinoline-2-carboxylate is sourced from PubChem (CID 177406339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).