1K0

2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5,7-dimethoxyquinazolin-4(3H)-one

Created:	2013-02-25
Last modified:	2013-11-27

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6 entries where 1K0 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	49
Chiral Atom Count	0
Bond Count	51
Aromatic Bond Count	12

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Chemical Component Summary
Name	2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5,7-dimethoxyquinazolin-4(3H)-one
Systematic Name (OpenEye OEToolkits)	2-[4-(2-hydroxyethyloxy)-3,5-dimethyl-phenyl]-5,7-dimethoxy-3H-quinazolin-4-one
Formula	C₂₀ H₂₂ N₂ O₅
Molecular Weight	370.399
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C2c3c(N=C(c1cc(c(OCCO)c(c1)C)C)N2)cc(OC)cc3OC
SMILES	CACTVS	3.370	COc1cc(OC)c2C(=O)NC(=Nc2c1)c3cc(C)c(OCCO)c(C)c3
SMILES	OpenEye OEToolkits	1.7.6	Cc1cc(cc(c1OCCO)C)C2=Nc3cc(cc(c3C(=O)N2)OC)OC
Canonical SMILES	CACTVS	3.370	COc1cc(OC)c2C(=O)NC(=Nc2c1)c3cc(C)c(OCCO)c(C)c3
Canonical SMILES	OpenEye OEToolkits	1.7.6	Cc1cc(cc(c1OCCO)C)C2=Nc3cc(cc(c3C(=O)N2)OC)OC
InChI	InChI	1.03	InChI=1S/C20H22N2O5/c1-11-7-13(8-12(2)18(11)27-6-5-23)19-21-15-9-14(25-3)10-16(26-4)17(15)20(24)22-19/h7-10,23H,5-6H2,1-4H3,(H,21,22,24)
InChIKey	InChI	1.03	NETXMUIMUZJUTB-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License

DrugBank ID	DB12000
Name	Apabetalone
Groups	investigational
Description	Apabetalone has been investigated for the treatment of Diabetes, Atherosclerosis, and Coronary Artery Disease.
Synonyms	Apabetalone
Categories	Heterocyclic Compounds, Fused-Ring Quinazolines
CAS number	1044870-39-4