4E2

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

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

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1 entries where 4E2 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	30
Chiral Atom Count	0
Bond Count	33
Aromatic Bond Count	20

2D diagram of 4E2

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Chemical Component Summary
Name	10-chloro-2-iodo-11H-indolo[3,2-c]quinoline-6-carboxylic acid
Systematic Name (OpenEye OEToolkits)	10-chloranyl-2-iodanyl-11H-indolo[3,2-c]quinoline-6-carboxylic acid
Formula	C₁₆ H₈ Cl I N₂ O₂
Molecular Weight	422.604
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(O)c1c3c(c2c(n1)ccc(c2)I)nc4c3cccc4Cl
SMILES	CACTVS	3.385	OC(=O)c1nc2ccc(I)cc2c3[nH]c4c(Cl)cccc4c13
SMILES	OpenEye OEToolkits	1.9.2	c1cc2c3c(c4cc(ccc4nc3C(=O)O)I)[nH]c2c(c1)Cl
Canonical SMILES	CACTVS	3.385	OC(=O)c1nc2ccc(I)cc2c3[nH]c4c(Cl)cccc4c13
Canonical SMILES	OpenEye OEToolkits	1.9.2	c1cc2c3c(c4cc(ccc4nc3C(=O)O)I)[nH]c2c(c1)Cl
InChI	InChI	1.03	InChI=1S/C16H8ClIN2O2/c17-10-3-1-2-8-12-14(20-13(8)10)9-6-7(18)4-5-11(9)19-15(12)16(21)22/h1-6,20H,(H,21,22)
InChIKey	InChI	1.03	WGBRJADREQKUMW-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	91664022
ChEMBL	CHEMBL3589671

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