DHQ

3,4-DIHYDRO-5-METHYL-ISOQUINOLINONE

Created:	1999-07-08
Last modified:	2011-06-04

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1 entries where DHQ is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	23
Chiral Atom Count	0
Bond Count	24
Aromatic Bond Count	6

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Chemical Component Summary
Name	3,4-DIHYDRO-5-METHYL-ISOQUINOLINONE
Systematic Name (OpenEye OEToolkits)	5-methyl-3,4-dihydro-2H-isoquinolin-1-one
Formula	C₁₀ H₁₁ N O
Molecular Weight	161.2
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C2c1cccc(c1CCN2)C
SMILES	CACTVS	3.341	Cc1cccc2C(=O)NCCc12
SMILES	OpenEye OEToolkits	1.5.0	Cc1cccc2c1CCNC2=O
Canonical SMILES	CACTVS	3.341	Cc1cccc2C(=O)NCCc12
Canonical SMILES	OpenEye OEToolkits	1.5.0	Cc1cccc2c1CCNC2=O
InChI	InChI	1.03	InChI=1S/C10H11NO/c1-7-3-2-4-9-8(7)5-6-11-10(9)12/h2-4H,5-6H2,1H3,(H,11,12)
InChIKey	InChI	1.03	RLLZPXDJYADIEU-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB03722
Name	3,4-Dihydro-5-Methyl-Isoquinolinone
Groups	experimental
Synonyms	3,4-Dihydro-5-Methyl-Isoquinolinone

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Poly [ADP-ribose] polymerase 1	MAESSDKLYRVEYAKSGRASCKKCSESIPKDSLRMAIMVQSPMFDGKVPH...	unknown

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682