ZRP

4-anilino-6-(hexylamino)-N-methylquinoline-3-carboxamide

Created:2021-05-25
Last modified:  2021-11-03

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Chemical Details

Formal Charge0
Atom Count56
Chiral Atom Count0
Bond Count58
Aromatic Bond Count17
2D diagram of ZRP

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Chemical Component Summary

Name4-anilino-6-(hexylamino)-N-methylquinoline-3-carboxamide
Systematic Name (OpenEye OEToolkits)6-(hexylamino)-~{N}-methyl-4-phenylazanyl-quinoline-3-carboxamide
FormulaC23 H28 N4 O
Molecular Weight376.495
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01CNC(=O)c1cnc2ccc(cc2c1Nc1ccccc1)NCCCCCC
SMILESCACTVS3.385CCCCCCNc1ccc2ncc(C(=O)NC)c(Nc3ccccc3)c2c1
SMILESOpenEye OEToolkits2.0.7CCCCCCNc1ccc2c(c1)c(c(cn2)C(=O)NC)Nc3ccccc3
Canonical SMILESCACTVS3.385 CCCCCCNc1ccc2ncc(C(=O)NC)c(Nc3ccccc3)c2c1
Canonical SMILESOpenEye OEToolkits2.0.7 CCCCCCNc1ccc2c(c1)c(c(cn2)C(=O)NC)Nc3ccccc3
InChIInChI1.03 InChI=1S/C23H28N4O/c1-3-4-5-9-14-25-18-12-13-21-19(15-18)22(20(16-26-21)23(28)24-2)27-17-10-7-6-8-11-17/h6-8,10-13,15-16,25H,3-5,9,14H2,1-2H3,(H,24,28)(H,26,27)
InChIKeyInChI1.03 VPTGXKPVJHDKIV-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 156631271