ethyl 5-oxo-6H-indolo[3,2-c]isoquinoline-11-carboxylate

C18H14N2O3 — CID 11415518

IUPACethyl 5-oxo-6H-indolo[3,2-c]isoquinoline-11-carboxylate
SMILESCCOC(=O)n1c2ccccc2c2[nH]c(=O)c3ccccc3c21
InChIInChI=1S/C18H14N2O3/c1-2-23-18(22)20-14-10-6-5-9-13(14)15-16(20)11-7-3-4-8-12(11)17(21)19-15/h3-10H,2H2,1H3,(H,19,21)
InChIKeyHKOKGLHFGPWWHT-UHFFFAOYSA-N
MW306.32 g/mol
LogP3.64
Rot. Bonds1

About ethyl 5-oxo-6H-indolo[3,2-c]isoquinoline-11-carboxylate

ethyl 5-oxo-6H-indolo[3,2-c]isoquinoline-11-carboxylate (PubChem CID 11415518) has the molecular formula C18H14N2O3 and a molecular weight of 306.32 g/mol. Its IUPAC name is ethyl 5-oxo-6H-indolo[3,2-c]isoquinoline-11-carboxylate.

Molecular Properties

Compound Nameethyl 5-oxo-6H-indolo[3,2-c]isoquinoline-11-carboxylate
PubChem CID11415518
Molecular FormulaC18H14N2O3
Molecular Weight306.32 g/mol
Exact Mass306.10
IUPAC Nameethyl 5-oxo-6H-indolo[3,2-c]isoquinoline-11-carboxylate
SMILESCCOC(=O)n1c2ccccc2c2[nH]c(=O)c3ccccc3c21
InChIInChI=1S/C18H14N2O3/c1-2-23-18(22)20-14-10-6-5-9-13(14)15-16(20)11-7-3-4-8-12(11)17(21)19-15/h3-10H,2H2,1H3,(H,19,21)
InChIKeyHKOKGLHFGPWWHT-UHFFFAOYSA-N
XLogP3.64
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl 5-oxo-6H-indolo[3,2-c]isoquinoline-11-carboxylate
CID 24875843
ethyl 2-[(Z)-but-1-enyl]-3-ethenyl-5-oxo-4H-pyrrolo[3,2-c]isoquinoline-1-carboxylate
CID 143098228
ethyl 3-methyl-1-oxo-2H-isoquinoline-4-carboxylate
CID 12677994
ethyl 3-amino-2-benzoylindole-1-carboxylate
CID 10638516
ethyl 2-carbazol-9-ylprop-2-enoate
CID 23150324
ethyl 4-(2,4-dioxoquinazolin-1-yl)butanoate
CID 19087677
ethyl 3-bromoindole-1-carboxylate
CID 67446481
ethyl 3-ethoxycarbonyloxy-1-phenylcarbazole-9-carboxylate
CID 10092561
ethyl 2-(2,3-dioxo-1H-benzo[f]quinoxalin-4-yl)acetate
CID 67641154
ethyl 2-(4-ethoxycarbonyloxyphenyl)-4-oxoquinoline-1-carboxylate
CID 11596063
ethyl 2-ethoxycarbonyloxy-3-(2-phenylethynyl)indole-1-carboxylate
CID 10970863
ethyl 5-oxo-7H-benzimidazolo[1,2-a]quinoline-6-carboxylate
CID 122523532

Frequently Asked Questions

What is the IUPAC name of ethyl 5-oxo-6H-indolo[3,2-c]isoquinoline-11-carboxylate?
The IUPAC name of ethyl 5-oxo-6H-indolo[3,2-c]isoquinoline-11-carboxylate (CID 11415518) is ethyl 5-oxo-6H-indolo[3,2-c]isoquinoline-11-carboxylate.
What is the SMILES notation for ethyl 5-oxo-6H-indolo[3,2-c]isoquinoline-11-carboxylate?
The canonical SMILES for ethyl 5-oxo-6H-indolo[3,2-c]isoquinoline-11-carboxylate is CCOC(=O)n1c2ccccc2c2[nH]c(=O)c3ccccc3c21.
What is the InChIKey of ethyl 5-oxo-6H-indolo[3,2-c]isoquinoline-11-carboxylate?
The InChIKey is HKOKGLHFGPWWHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O3/c1-2-23-18(22)20-14-10-6-5-9-13(14)15-16(20)11-7-3-4-8-12(11)17(21)19-15/h3-10H,2H2,1H3,(H,19,21).
What are the key properties of ethyl 5-oxo-6H-indolo[3,2-c]isoquinoline-11-carboxylate?
ethyl 5-oxo-6H-indolo[3,2-c]isoquinoline-11-carboxylate has a molecular weight of 306.32 g/mol, XLogP of 3.64, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-oxo-6H-indolo[3,2-c]isoquinoline-11-carboxylate is sourced from PubChem (CID 11415518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).