OSG
7-[3-(aminomethyl)-4-propoxyphenyl]-4-methylquinolin-2-amine
Created: | 2019-07-03 |
Last modified: | 2020-04-29 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 47 |
Chiral Atom Count | 0 |
Bond Count | 49 |
Aromatic Bond Count | 17 |
Chemical Component Summary | |
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Name | 7-[3-(aminomethyl)-4-propoxyphenyl]-4-methylquinolin-2-amine |
Systematic Name (OpenEye OEToolkits) | 7-[3-(aminomethyl)-4-propoxy-phenyl]-4-methyl-quinolin-2-amine |
Formula | C20 H23 N3 O |
Molecular Weight | 321.416 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c21nc(N)cc(c1ccc(c2)c3ccc(OCCC)c(c3)CN)C |
SMILES | CACTVS | 3.385 | CCCOc1ccc(cc1CN)c2ccc3c(C)cc(N)nc3c2 |
SMILES | OpenEye OEToolkits | 2.0.7 | CCCOc1ccc(cc1CN)c2ccc3c(cc(nc3c2)N)C |
Canonical SMILES | CACTVS | 3.385 | CCCOc1ccc(cc1CN)c2ccc3c(C)cc(N)nc3c2 |
Canonical SMILES | OpenEye OEToolkits | 2.0.7 | CCCOc1ccc(cc1CN)c2ccc3c(cc(nc3c2)N)C |
InChI | InChI | 1.03 | InChI=1S/C20H23N3O/c1-3-8-24-19-7-5-14(10-16(19)12-21)15-4-6-17-13(2)9-20(22)23-18(17)11-15/h4-7,9-11H,3,8,12,21H2,1-2H3,(H2,22,23) |
InChIKey | InChI | 1.03 | WKYWHPWEQYJUAT-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 146025972 |