465

8-amino-7-chloro-1-methyl-6-(methylideneamino)-2-oxo-1,2-dihydropyrrolo[4,3,2-de]quinoline-4-carboxamide

Created:	2012-01-09
Last modified:	2012-01-09

Find Related PDB Entry
1 entries where 465 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	31
Chiral Atom Count	0
Bond Count	33
Aromatic Bond Count	11

2D diagram of 465

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	8-amino-7-chloro-1-methyl-6-(methylideneamino)-2-oxo-1,2-dihydropyrrolo[4,3,2-de]quinoline-4-carboxamide
Systematic Name (OpenEye OEToolkits)	n/a
Formula	C₁₃ H₁₀ Cl N₅ O₂
Molecular Weight	303.704
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Clc3c(\N=C)c1nc(cc2C(=O)N(c(c12)c3N)C)C(=O)N
SMILES	CACTVS	3.370	CN1C(=O)c2cc(nc3c(N=C)c(Cl)c(N)c1c23)C(N)=O
SMILES	OpenEye OEToolkits	1.7.6	CN1c2c3c(cc(nc3c(c(c2N)Cl)N=C)C(=O)N)C1=O
Canonical SMILES	CACTVS	3.370	CN1C(=O)c2cc(nc3c(N=C)c(Cl)c(N)c1c23)C(N)=O
Canonical SMILES	OpenEye OEToolkits	1.7.6	CN1c2c3c(cc(nc3c(c(c2N)Cl)N=C)C(=O)N)C1=O
InChI	InChI	1.03	InChI=1S/C13H10ClN5O2/c1-17-10-7(14)8(15)11-6-4(13(21)19(11)2)3-5(12(16)20)18-9(6)10/h3H,1,15H2,2H3,(H2,16,20)
InChIKey	InChI	1.03	IRLASAQBVTZKMT-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	137348209

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.