12Q

1-METHYLQUINOLIN-2(1H)-ONE

Created:	2005-11-29
Last modified:	2020-06-05

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6 entries where 12Q is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	21
Chiral Atom Count	0
Bond Count	22
Aromatic Bond Count	11

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Chemical Component Summary
Name	1-METHYLQUINOLIN-2(1H)-ONE
Synonyms	1-METHYL-2-QUINOLONE
Systematic Name (OpenEye OEToolkits)	1-methylquinolin-2-one
Formula	C₁₀ H₉ N O
Molecular Weight	159.185
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C2C=Cc1c(cccc1)N2C
SMILES	CACTVS	3.341	CN1C(=O)C=Cc2ccccc12
SMILES	OpenEye OEToolkits	1.5.0	CN1c2ccccc2C=CC1=O
Canonical SMILES	CACTVS	3.341	CN1C(=O)C=Cc2ccccc12
Canonical SMILES	OpenEye OEToolkits	1.5.0	CN1c2ccccc2C=CC1=O
InChI	InChI	1.03	InChI=1S/C10H9NO/c1-11-9-5-3-2-4-8(9)6-7-10(11)12/h2-7H,1H3
InChIKey	InChI	1.03	QYEMNJMSULGQRD-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB04580
Name	1-Methyl-2-quinolone
Groups	experimental
Synonyms	1-Methyl-2-quinolone
CAS number	606-43-9

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Putative uncharacterized protein	MRKIYIAGPAVFNPDMGASYYNKVRELLKKENVMPLIPTDNEATGALDIR...	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