A1IUV

6-[2-(dimethylamino)ethylamino]-3-oxidanyl-indeno[2,1-c]quinolin-7-one

Created:	2024-11-21
Last modified:	2025-05-28

Find Related PDB Entry
1 entries where A1IUV is found as a standalone ligand

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	44
Chiral Atom Count	0
Bond Count	47
Aromatic Bond Count	17

2D diagram of A1IUV

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	6-[2-(dimethylamino)ethylamino]-3-oxidanyl-indeno[2,1-c]quinolin-7-one
Systematic Name (OpenEye OEToolkits)	6-[2-(dimethylamino)ethylamino]-3-oxidanyl-indeno[2,1-c]quinolin-7-one
Formula	C₂₀ H₁₉ N₃ O₂
Molecular Weight	333.384
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CN(C)CCNc1nc2cc(O)ccc2c3c4ccccc4C(=O)c13
SMILES	OpenEye OEToolkits	2.0.7	CN(C)CCNc1c2c(c3ccc(cc3n1)O)-c4ccccc4C2=O
Canonical SMILES	CACTVS	3.385	CN(C)CCNc1nc2cc(O)ccc2c3c4ccccc4C(=O)c13
Canonical SMILES	OpenEye OEToolkits	2.0.7	CN(C)CCNc1c2c(c3ccc(cc3n1)O)-c4ccccc4C2=O
InChI	InChI	1.06	InChI=1S/C20H19N3O2/c1-23(2)10-9-21-20-18-17(13-5-3-4-6-14(13)19(18)25)15-8-7-12(24)11-16(15)22-20/h3-8,11,24H,9-10H2,1-2H3,(H,21,22)
InChIKey	InChI	1.06	ROWSTIYZUWEOMM-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	135413533
ChEMBL	CHEMBL488755

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.