TNW

7-chloranyl-4-(dimethylamino)-1-(3-methylphenyl)quinazolin-2-one

Created:	2021-01-12
Last modified:	2021-04-21

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1 entries where TNW is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	38
Chiral Atom Count	0
Bond Count	40
Aromatic Bond Count	12

2D diagram of TNW

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Chemical Component Summary
Name	7-chloranyl-4-(dimethylamino)-1-(3-methylphenyl)quinazolin-2-one
Systematic Name (OpenEye OEToolkits)	7-chloranyl-4-(dimethylamino)-1-(3-methylphenyl)quinazolin-2-one
Formula	C₁₇ H₁₆ Cl N₃ O
Molecular Weight	313.781
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CN(C)C1=NC(=O)N(c2cccc(C)c2)c3cc(Cl)ccc13
SMILES	OpenEye OEToolkits	2.0.7	Cc1cccc(c1)N2c3cc(ccc3C(=NC2=O)N(C)C)Cl
Canonical SMILES	CACTVS	3.385	CN(C)C1=NC(=O)N(c2cccc(C)c2)c3cc(Cl)ccc13
Canonical SMILES	OpenEye OEToolkits	2.0.7	Cc1cccc(c1)N2c3cc(ccc3C(=NC2=O)N(C)C)Cl
InChI	InChI	1.03	InChI=1S/C17H16ClN3O/c1-11-5-4-6-13(9-11)21-15-10-12(18)7-8-14(15)16(20(2)3)19-17(21)22/h4-10H,1-3H3
InChIKey	InChI	1.03	CQCXBTFANPRPTE-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	155899145

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