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Summary Geometry Related PDB entries

E44

Summary

Name:	2-chloro-4-(6-methoxy-3,4-dihydroquinolin-1(2H)-yl)pyrido[3,2-d]pyrimidine
Formula:	C17 H15 Cl N4 O
Formal charge:	0
Formula weight:	326.78 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	2-chloro-4-(6-methoxy-3,4-dihydroquinolin-1(2H)-yl)pyrido[3,2-d]pyrimidine
OpenEye OEToolkits	2.0.6	2-chloranyl-4-(6-methoxy-3,4-dihydro-2~{H}-quinolin-1-yl)pyrido[3,2-d]pyrimidine

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c2(Cl)nc1cccnc1c(n2)N4c3ccc(cc3CCC4)OC
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
SMILES_CANONICAL	CACTVS	3.385	COc1ccc2N(CCCc2c1)c3nc(Cl)nc4cccnc34
SMILES	CACTVS	3.385	COc1ccc2N(CCCc2c1)c3nc(Cl)nc4cccnc34
SMILES_CANONICAL	OpenEye OEToolkits	2.0.6	COc1ccc2c(c1)CCCN2c3c4c(cccn4)nc(n3)Cl
SMILES	OpenEye OEToolkits	2.0.6	COc1ccc2c(c1)CCCN2c3c4c(cccn4)nc(n3)Cl

234785

PDB entries from 2025-04-16

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