MEJ

3-(4-oxo-3,4-dihydroquinazolin-2-yl)-N-[(1S)-1-phenylethyl]propanamide

Created:	2012-09-19
Last modified:	2013-06-19

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1 entries where MEJ is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	43
Chiral Atom Count	1
Bond Count	45
Aromatic Bond Count	12

2D diagram of MEJ

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Chemical Component Summary
Name	3-(4-oxo-3,4-dihydroquinazolin-2-yl)-N-[(1S)-1-phenylethyl]propanamide
Systematic Name (OpenEye OEToolkits)	3-(4-oxidanylidene-3H-quinazolin-2-yl)-N-[(1S)-1-phenylethyl]propanamide
Formula	C₁₉ H₁₉ N₃ O₂
Molecular Weight	321.373
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(NC(c1ccccc1)C)CCC3=Nc2c(cccc2)C(=O)N3
SMILES	CACTVS	3.370	C[CH](NC(=O)CCC1=Nc2ccccc2C(=O)N1)c3ccccc3
SMILES	OpenEye OEToolkits	1.7.6	CC(c1ccccc1)NC(=O)CCC2=Nc3ccccc3C(=O)N2
Canonical SMILES	CACTVS	3.370	C[C@H](NC(=O)CCC1=Nc2ccccc2C(=O)N1)c3ccccc3
Canonical SMILES	OpenEye OEToolkits	1.7.6	C[C@@H](c1ccccc1)NC(=O)CCC2=Nc3ccccc3C(=O)N2
InChI	InChI	1.03	InChI=1S/C19H19N3O2/c1-13(14-7-3-2-4-8-14)20-18(23)12-11-17-21-16-10-6-5-9-15(16)19(24)22-17/h2-10,13H,11-12H2,1H3,(H,20,23)(H,21,22,24)/t13-/m0/s1
InChIKey	InChI	1.03	QIHBWVVVRYYYRO-ZDUSSCGKSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL3092537
PubChem	135566764, 71571526
ChEMBL	CHEMBL3092537

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