AFQ

6-amino-4-{2-[(cyclopentylmethyl)amino]ethyl}-2-(methylamino)-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one

Created:	2009-03-02
Last modified:	2011-06-04

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2 entries where AFQ is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	51
Chiral Atom Count	0
Bond Count	54
Aromatic Bond Count	10

2D diagram of AFQ

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Chemical Component Summary
Name	6-amino-4-{2-[(cyclopentylmethyl)amino]ethyl}-2-(methylamino)-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one
Systematic Name (OpenEye OEToolkits)	6-amino-4-[2-(cyclopentylmethylamino)ethyl]-2-methylamino-1,7-dihydropyrimido[6,5-f]benzimidazol-8-one
Formula	C₁₈ H₂₅ N₇ O
Molecular Weight	355.437
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C1c3c(N=C(N1)N)c(c2nc(NC)nc2c3)CCNCC4CCCC4
SMILES	CACTVS	3.341	CNc1[nH]c2cc3C(=O)NC(=Nc3c(CCNCC4CCCC4)c2n1)N
SMILES	OpenEye OEToolkits	1.5.0	CNc1[nH]c2cc3c(c(c2n1)CCNCC4CCCC4)N=C(NC3=O)N
Canonical SMILES	CACTVS	3.341	CNc1[nH]c2cc3C(=O)NC(=Nc3c(CCNCC4CCCC4)c2n1)N
Canonical SMILES	OpenEye OEToolkits	1.5.0	CNc1[nH]c2cc3c(c(c2n1)CCNCC4CCCC4)N=C(NC3=O)N
InChI	InChI	1.03	InChI=1S/C18H25N7O/c1-20-18-22-13-8-12-14(23-17(19)25-16(12)26)11(15(13)24-18)6-7-21-9-10-4-2-3-5-10/h8,10,21H,2-7,9H2,1H3,(H2,20,22,24)(H3,19,23,25,26)
InChIKey	InChI	1.03	OTRZFAIJJHPZSL-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	44483204, 135566462

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