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Summary Geometry Related PDB entries

QUL

Summary

Name:	N,N-diethyl-N'-(10H-indolo[3,2-b]quinolin-11-yl)ethane-1,2-diamine
Formula:	C21 H24 N4
Formal charge:	0
Formula weight:	332.442 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	N,N-diethyl-N'-(10H-indolo[3,2-b]quinolin-11-yl)ethane-1,2-diamine
OpenEye OEToolkits	1.7.0	N',N'-diethyl-N-(10H-indolo[3,2-b]quinolin-11-yl)ethane-1,2-diamine

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	n2c1ccccc1c(c4c2c3ccccc3n4)NCCN(CC)CC
SMILES_CANONICAL	CACTVS	3.370	CCN(CC)CCNc1c2[nH]c3ccccc3c2nc4ccccc14
SMILES	CACTVS	3.370	CCN(CC)CCNc1c2[nH]c3ccccc3c2nc4ccccc14
SMILES_CANONICAL	OpenEye OEToolkits	1.7.0	CCN(CC)CCNc1c2ccccc2nc3c1[nH]c4c3cccc4
SMILES	OpenEye OEToolkits	1.7.0	CCN(CC)CCNc1c2ccccc2nc3c1[nH]c4c3cccc4
InChI	InChI	1.03	InChI=1S/C21H24N4/c1-3-25(4-2)14-13-22-19-15-9-5-7-11-17(15)23-20-16-10-6-8-12-18(16)24-21(19)20/h5-12,24H,3-4,13-14H2,1-2H3,(H,22,23)
InChIKey	InChI	1.03	BWWJYRDFOAYKCH-UHFFFAOYSA-N

219869

PDB entries from 2024-05-15

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