2ZT
2-[(quinolin-7-yloxy)methyl]quinoline
Created: | 2013-09-20 |
Last modified: | 2014-05-14 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 36 |
Chiral Atom Count | 0 |
Bond Count | 39 |
Aromatic Bond Count | 22 |
Chemical Component Summary | |
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Name | 2-[(quinolin-7-yloxy)methyl]quinoline |
Systematic Name (OpenEye OEToolkits) | 2-(quinolin-7-yloxymethyl)quinoline |
Formula | C19 H14 N2 O |
Molecular Weight | 286.327 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | n4c3cc(OCc1nc2ccccc2cc1)ccc3ccc4 |
SMILES | CACTVS | 3.385 | C(Oc1ccc2cccnc2c1)c3ccc4ccccc4n3 |
SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)ccc(n2)COc3ccc4cccnc4c3 |
Canonical SMILES | CACTVS | 3.385 | C(Oc1ccc2cccnc2c1)c3ccc4ccccc4n3 |
Canonical SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)ccc(n2)COc3ccc4cccnc4c3 |
InChI | InChI | 1.03 | InChI=1S/C19H14N2O/c1-2-6-18-14(4-1)7-9-16(21-18)13-22-17-10-8-15-5-3-11-20-19(15)12-17/h1-12H,13H2 |
InChIKey | InChI | 1.03 | XVPLFTQUQMWPKC-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 73659152 |