4E1

10-iodo-11H-indolo[3,2-c]quinoline-6-carboxylic acid

Created: 2015-03-05
Last modified:  2015-03-25

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Chemical Details

Formal Charge0
Atom Count30
Chiral Atom Count0
Bond Count33
Aromatic Bond Count20
2D diagram of 4E1

Chemical Component Summary

Name10-iodo-11H-indolo[3,2-c]quinoline-6-carboxylic acid
Systematic Name (OpenEye OEToolkits)10-iodanyl-11H-indolo[3,2-c]quinoline-6-carboxylic acid
FormulaC16 H9 I N2 O2
Molecular Weight388.159
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01c32c1nc4c(c1c(nc2cccc3)C(O)=O)cccc4I
SMILESCACTVS3.385OC(=O)c1nc2ccccc2c3[nH]c4c(I)cccc4c13
SMILESOpenEye OEToolkits1.9.2c1ccc2c(c1)c3c(c4cccc(c4[nH]3)I)c(n2)C(=O)O
Canonical SMILESCACTVS3.385 OC(=O)c1nc2ccccc2c3[nH]c4c(I)cccc4c13
Canonical SMILESOpenEye OEToolkits1.9.2 c1ccc2c(c1)c3c(c4cccc(c4[nH]3)I)c(n2)C(=O)O
InChIInChI1.03 InChI=1S/C16H9IN2O2/c17-10-6-3-5-9-12-14(19-13(9)10)8-4-1-2-7-11(8)18-15(12)16(20)21/h1-7,19H,(H,20,21)
InChIKeyInChI1.03 SDRAETFVRBBLOB-UHFFFAOYSA-N

Related Resource References

Resource NameReference
Pharos CHEMBL3589662
PubChem 91664021
ChEMBL CHEMBL3589662