E44

2-chloro-4-(6-methoxy-3,4-dihydroquinolin-1(2H)-yl)pyrido[3,2-d]pyrimidine

Created:	2017-12-01
Last modified:	2018-06-27

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1 entries where E44 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	38
Chiral Atom Count	0
Bond Count	41
Aromatic Bond Count	17

2D diagram of E44

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Chemical Component Summary
Name	2-chloro-4-(6-methoxy-3,4-dihydroquinolin-1(2H)-yl)pyrido[3,2-d]pyrimidine
Systematic Name (OpenEye OEToolkits)	2-chloranyl-4-(6-methoxy-3,4-dihydro-2~{H}-quinolin-1-yl)pyrido[3,2-d]pyrimidine
Formula	C₁₇ H₁₅ Cl N₄ O
Molecular Weight	326.78
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c2(Cl)nc1cccnc1c(n2)N4c3ccc(cc3CCC4)OC
SMILES	CACTVS	3.385	COc1ccc2N(CCCc2c1)c3nc(Cl)nc4cccnc34
SMILES	OpenEye OEToolkits	2.0.6	COc1ccc2c(c1)CCCN2c3c4c(cccn4)nc(n3)Cl
Canonical SMILES	CACTVS	3.385	COc1ccc2N(CCCc2c1)c3nc(Cl)nc4cccnc34
Canonical SMILES	OpenEye OEToolkits	2.0.6	COc1ccc2c(c1)CCCN2c3c4c(cccn4)nc(n3)Cl
InChI	InChI	1.03	InChI=1S/C17H15ClN4O/c1-23-12-6-7-14-11(10-12)4-3-9-22(14)16-15-13(5-2-8-19-15)20-17(18)21-16/h2,5-8,10H,3-4,9H2,1H3
InChIKey	InChI	1.03	QDLGKFNCVHBEOQ-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	134611709
ChEMBL	CHEMBL4067605

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