4MQ

4-(4-METHYL-1,4-DIAZEPAN-1-YL)QUINAZOLINE

Created:	2011-11-14
Last modified:	2014-04-16

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1 entries where 4MQ is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	36
Chiral Atom Count	0
Bond Count	38
Aromatic Bond Count	11

2D diagram of 4MQ

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Chemical Component Summary
Name	4-(4-METHYL-1,4-DIAZEPAN-1-YL)QUINAZOLINE
Systematic Name (OpenEye OEToolkits)	4-(4-methyl-1,4-diazepan-1-yl)quinazoline
Formula	C₁₄ H₁₈ N₄
Molecular Weight	242.32
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	n1c3c(c(nc1)N2CCCN(C)CC2)cccc3
SMILES	CACTVS	3.370	CN1CCCN(CC1)c2ncnc3ccccc23
SMILES	OpenEye OEToolkits	1.7.2	CN1CCCN(CC1)c2c3ccccc3ncn2
Canonical SMILES	CACTVS	3.370	CN1CCCN(CC1)c2ncnc3ccccc23
Canonical SMILES	OpenEye OEToolkits	1.7.2	CN1CCCN(CC1)c2c3ccccc3ncn2
InChI	InChI	1.03	InChI=1S/C14H18N4/c1-17-7-4-8-18(10-9-17)14-12-5-2-3-6-13(12)15-11-16-14/h2-3,5-6,11H,4,7-10H2,1H3
InChIKey	InChI	1.03	BZBWHBGXCGIIRW-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	47121004

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