M3W

8-METHYL-2-(4-METHYLPHENYL)-3,4-DIHYDROQUINAZOLIN-4-ONE

Created:	2015-03-20
Last modified:	2016-04-13

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1 entries where M3W is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	33
Chiral Atom Count	0
Bond Count	35
Aromatic Bond Count	12

2D diagram of M3W

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Chemical Component Summary
Name	8-METHYL-2-(4-METHYLPHENYL)-3,4-DIHYDROQUINAZOLIN-4-ONE
Systematic Name (OpenEye OEToolkits)	8-methyl-2-(4-methylphenyl)-3H-quinazolin-4-one
Formula	C₁₆ H₁₄ N₂ O
Molecular Weight	250.295
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Cc1ccc(cc1)C2=Nc3c(C)cccc3C(=O)N2
SMILES	OpenEye OEToolkits	1.7.6	Cc1ccc(cc1)C2=Nc3c(cccc3C(=O)N2)C
Canonical SMILES	CACTVS	3.385	Cc1ccc(cc1)C2=Nc3c(C)cccc3C(=O)N2
Canonical SMILES	OpenEye OEToolkits	1.7.6	Cc1ccc(cc1)C2=Nc3c(cccc3C(=O)N2)C
InChI	InChI	1.03	InChI=1S/C16H14N2O/c1-10-6-8-12(9-7-10)15-17-14-11(2)4-3-5-13(14)16(19)18-15/h3-9H,1-2H3,(H,17,18,19)
InChIKey	InChI	1.03	VKQCBCMAFAIWOE-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL3098940
PubChem	135566969, 72725380
ChEMBL	CHEMBL3098940

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