benzyl 2-cyano-2-[2-(4-methylpiperazin-1-yl)quinolin-3-yl]acetate;benzyl 2-cyano-2-[3-(4-methylpiperazin-1-yl)quinolin-2-yl]acetate;2-(1-benzylimidazol-2-yl)-2-[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]acetonitrile;2-(5-benzyl-1,3,4-oxadiazol-2-yl)-2-[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]acetonitrile;2-(5-methyl-1,3,4-oxadiazol-2-yl)-2-[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]acetonitrile

C115H115N29O6 — CID 164982049

IUPACbenzyl 2-cyano-2-[2-(4-methylpiperazin-1-yl)quinolin-3-yl]acetate;benzyl 2-cyano-2-[3-(4-methylpiperazin-1-yl)quinolin-2-yl]acetate;2-(1-benzylimidazol-2-yl)-2-[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]acetonitrile;2-(5-benzyl-1,3,4-oxadiazol-2-yl)-2-[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]acetonitrile;2-(5-methyl-1,3,4-oxadiazol-2-yl)-2-[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]acetonitrile
SMILESCN1CCN(c2cc3ccccc3nc2C(C#N)C(=O)OCc2ccccc2)CC1.CN1CCN(c2nc3ccccc3cc2C(C#N)C(=O)OCc2ccccc2)CC1.CN1CCN(c2nc3ccccc3nc2C(C#N)c2nccn2Cc2ccccc2)CC1.CN1CCN(c2nc3ccccc3nc2C(C#N)c2nnc(Cc3ccccc3)o2)CC1.Cc1nnc(C(C#N)c2nc3ccccc3nc2N2CCN(C)CC2)o1
InChIInChI=1S/C25H25N7.C24H23N7O.2C24H24N4O2.C18H19N7O/c1-30-13-15-31(16-14-30)25-23(28-21-9-5-6-10-22(21)29-25)20(17-26)24-27-11-12-32(24)18-19-7-3-2-4-8-19;1-30-11-13-31(14-12-30)23-22(26-19-9-5-6-10-20(19)27-23)18(16-25)24-29-28-21(32-24)15-17-7-3-2-4-8-17;1-27-11-13-28(14-12-27)22-15-19-9-5-6-10-21(19)26-23(22)20(16-25)24(29)30-17-18-7-3-2-4-8-18;1-27-11-13-28(14-12-27)23-20(15-19-9-5-6-10-22(19)26-23)21(16-25)24(29)30-17-18-7-3-2-4-8-18;1-12-22-23-18(26-12)13(11-19)16-17(25-9-7-24(2)8-10-25)21-15-6-4-3-5-14(15)20-16/h2-12,20H,13-16,18H2,1H3;2-10,18H,11-15H2,1H3;2-10,15,20H,11-14,17H2,1H3;2-10,15,21H,11-14,17H2,1H3;3-6,13H,7-10H2,1-2H3
InChIKeyFQCIYISWWGOXFJ-UHFFFAOYSA-N
MW1999.38 g/mol
LogP14.70
Rot. Bonds23

About benzyl 2-cyano-2-[2-(4-methylpiperazin-1-yl)quinolin-3-yl]acetate;benzyl 2-cyano-2-[3-(4-methylpiperazin-1-yl)quinolin-2-yl]acetate;2-(1-benzylimidazol-2-yl)-2-[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]acetonitrile;2-(5-benzyl-1,3,4-oxadiazol-2-yl)-2-[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]acetonitrile;2-(5-methyl-1,3,4-oxadiazol-2-yl)-2-[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]acetonitrile

benzyl 2-cyano-2-[2-(4-methylpiperazin-1-yl)quinolin-3-yl]acetate;benzyl 2-cyano-2-[3-(4-methylpiperazin-1-yl)quinolin-2-yl]acetate;2-(1-benzylimidazol-2-yl)-2-[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]acetonitrile;2-(5-benzyl-1,3,4-oxadiazol-2-yl)-2-[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]acetonitrile;2-(5-methyl-1,3,4-oxadiazol-2-yl)-2-[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]acetonitrile (PubChem CID 164982049) has the molecular formula C115H115N29O6 and a molecular weight of 1999.38 g/mol. Its IUPAC name is benzyl 2-cyano-2-[2-(4-methylpiperazin-1-yl)quinolin-3-yl]acetate;benzyl 2-cyano-2-[3-(4-methylpiperazin-1-yl)quinolin-2-yl]acetate;2-(1-benzylimidazol-2-yl)-2-[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]acetonitrile;2-(5-benzyl-1,3,4-oxadiazol-2-yl)-2-[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]acetonitrile;2-(5-methyl-1,3,4-oxadiazol-2-yl)-2-[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]acetonitrile.

Molecular Properties

Compound Namebenzyl 2-cyano-2-[2-(4-methylpiperazin-1-yl)quinolin-3-yl]acetate;benzyl 2-cyano-2-[3-(4-methylpiperazin-1-yl)quinolin-2-yl]acetate;2-(1-benzylimidazol-2-yl)-2-[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]acetonitrile;2-(5-benzyl-1,3,4-oxadiazol-2-yl)-2-[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]acetonitrile;2-(5-methyl-1,3,4-oxadiazol-2-yl)-2-[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]acetonitrile
PubChem CID164982049
Molecular FormulaC115H115N29O6
Molecular Weight1999.38 g/mol
Exact Mass1997.96
IUPAC Namebenzyl 2-cyano-2-[2-(4-methylpiperazin-1-yl)quinolin-3-yl]acetate;benzyl 2-cyano-2-[3-(4-methylpiperazin-1-yl)quinolin-2-yl]acetate;2-(1-benzylimidazol-2-yl)-2-[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]acetonitrile;2-(5-benzyl-1,3,4-oxadiazol-2-yl)-2-[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]acetonitrile;2-(5-methyl-1,3,4-oxadiazol-2-yl)-2-[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]acetonitrile
SMILESCN1CCN(c2cc3ccccc3nc2C(C#N)C(=O)OCc2ccccc2)CC1.CN1CCN(c2nc3ccccc3cc2C(C#N)C(=O)OCc2ccccc2)CC1.CN1CCN(c2nc3ccccc3nc2C(C#N)c2nccn2Cc2ccccc2)CC1.CN1CCN(c2nc3ccccc3nc2C(C#N)c2nnc(Cc3ccccc3)o2)CC1.Cc1nnc(C(C#N)c2nc3ccccc3nc2N2CCN(C)CC2)o1
InChIInChI=1S/C25H25N7.C24H23N7O.2C24H24N4O2.C18H19N7O/c1-30-13-15-31(16-14-30)25-23(28-21-9-5-6-10-22(21)29-25)20(17-26)24-27-11-12-32(24)18-19-7-3-2-4-8-19;1-30-11-13-31(14-12-30)23-22(26-19-9-5-6-10-20(19)27-23)18(16-25)24-29-28-21(32-24)15-17-7-3-2-4-8-17;1-27-11-13-28(14-12-27)22-15-19-9-5-6-10-21(19)26-23(22)20(16-25)24(29)30-17-18-7-3-2-4-8-18;1-27-11-13-28(14-12-27)23-20(15-19-9-5-6-10-22(19)26-23)21(16-25)24(29)30-17-18-7-3-2-4-8-18;1-12-22-23-18(26-12)13(11-19)16-17(25-9-7-24(2)8-10-25)21-15-6-4-3-5-14(15)20-16/h2-12,20H,13-16,18H2,1H3;2-10,18H,11-15H2,1H3;2-10,15,20H,11-14,17H2,1H3;2-10,15,21H,11-14,17H2,1H3;3-6,13H,7-10H2,1-2H3
InChIKeyFQCIYISWWGOXFJ-UHFFFAOYSA-N
XLogP14.70
TPSA402.73 Ų
H-Bond Donors
H-Bond Acceptors35
Rotatable Bonds23
Heavy Atoms150
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001999.38
LogP ≤ 514.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1035

Analyze benzyl 2-cyano-2-[2-(4-methylpiperazin-1-yl)quinolin-3-yl]acetate;benzyl 2-cyano-2-[3-(4-methylpiperazin-1-yl)quinolin-2-yl]acetate;2-(1-benzylimidazol-2-yl)-2-[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]acetonitrile;2-(5-benzyl-1,3,4-oxadiazol-2-yl)-2-[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]acetonitrile;2-(5-methyl-1,3,4-oxadiazol-2-yl)-2-[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]acetonitrile with MolForge

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Launch Full Analysis

Related Compounds

benzyl 2-cyano-2-[3-(4-methylpiperazin-1-yl)-1,5-naphthyridin-2-yl]acetate
CID 135348765
benzyl (2R)-2-cyano-2-[3-(4-methylpiperidin-1-yl)quinoxalin-2-yl]acetate
CID 7461002
benzyl 2-cyano-2-[3-(4-methylpiperazin-1-yl)pyrazin-2-yl]acetate;ethane
CID 142447186
hexyl (2R)-2-cyano-2-[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]acetate
CID 2012274
cyclohexylmethyl 2-cyano-2-[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]acetate
CID 135348643
(2R)-N-benzyl-2-cyano-2-[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]acetamide
CID 7367750
heptyl 2-[3-(4-benzylpiperazin-1-yl)quinoxalin-2-yl]-2-cyanoacetate
CID 3821473
pyridin-4-ylmethyl 2-cyano-2-(3-piperazin-1-ylquinoxalin-2-yl)acetate
CID 164711566
cyclohexyl 2-cyano-2-[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]acetate;ethane
CID 142447194
benzyl 2-cyano-2-[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]propanoate
CID 135348575
butyl (2R)-2-[3-(4-benzylpiperidin-1-yl)quinoxalin-2-yl]-2-cyanoacetate
CID 40818662
1-[2-(4-methylpiperazin-1-yl)quinolin-3-yl]propan-1-ol
CID 90273343

Frequently Asked Questions

What is the IUPAC name of benzyl 2-cyano-2-[2-(4-methylpiperazin-1-yl)quinolin-3-yl]acetate;benzyl 2-cyano-2-[3-(4-methylpiperazin-1-yl)quinolin-2-yl]acetate;2-(1-benzylimidazol-2-yl)-2-[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]acetonitrile;2-(5-benzyl-1,3,4-oxadiazol-2-yl)-2-[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]acetonitrile;2-(5-methyl-1,3,4-oxadiazol-2-yl)-2-[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]acetonitrile?
The IUPAC name of benzyl 2-cyano-2-[2-(4-methylpiperazin-1-yl)quinolin-3-yl]acetate;benzyl 2-cyano-2-[3-(4-methylpiperazin-1-yl)quinolin-2-yl]acetate;2-(1-benzylimidazol-2-yl)-2-[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]acetonitrile;2-(5-benzyl-1,3,4-oxadiazol-2-yl)-2-[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]acetonitrile;2-(5-methyl-1,3,4-oxadiazol-2-yl)-2-[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]acetonitrile (CID 164982049) is benzyl 2-cyano-2-[2-(4-methylpiperazin-1-yl)quinolin-3-yl]acetate;benzyl 2-cyano-2-[3-(4-methylpiperazin-1-yl)quinolin-2-yl]acetate;2-(1-benzylimidazol-2-yl)-2-[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]acetonitrile;2-(5-benzyl-1,3,4-oxadiazol-2-yl)-2-[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]acetonitrile;2-(5-methyl-1,3,4-oxadiazol-2-yl)-2-[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]acetonitrile.
What is the SMILES notation for benzyl 2-cyano-2-[2-(4-methylpiperazin-1-yl)quinolin-3-yl]acetate;benzyl 2-cyano-2-[3-(4-methylpiperazin-1-yl)quinolin-2-yl]acetate;2-(1-benzylimidazol-2-yl)-2-[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]acetonitrile;2-(5-benzyl-1,3,4-oxadiazol-2-yl)-2-[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]acetonitrile;2-(5-methyl-1,3,4-oxadiazol-2-yl)-2-[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]acetonitrile?
The canonical SMILES for benzyl 2-cyano-2-[2-(4-methylpiperazin-1-yl)quinolin-3-yl]acetate;benzyl 2-cyano-2-[3-(4-methylpiperazin-1-yl)quinolin-2-yl]acetate;2-(1-benzylimidazol-2-yl)-2-[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]acetonitrile;2-(5-benzyl-1,3,4-oxadiazol-2-yl)-2-[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]acetonitrile;2-(5-methyl-1,3,4-oxadiazol-2-yl)-2-[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]acetonitrile is CN1CCN(c2cc3ccccc3nc2C(C#N)C(=O)OCc2ccccc2)CC1.CN1CCN(c2nc3ccccc3cc2C(C#N)C(=O)OCc2ccccc2)CC1.CN1CCN(c2nc3ccccc3nc2C(C#N)c2nccn2Cc2ccccc2)CC1.CN1CCN(c2nc3ccccc3nc2C(C#N)c2nnc(Cc3ccccc3)o2)CC1.Cc1nnc(C(C#N)c2nc3ccccc3nc2N2CCN(C)CC2)o1.
What is the InChIKey of benzyl 2-cyano-2-[2-(4-methylpiperazin-1-yl)quinolin-3-yl]acetate;benzyl 2-cyano-2-[3-(4-methylpiperazin-1-yl)quinolin-2-yl]acetate;2-(1-benzylimidazol-2-yl)-2-[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]acetonitrile;2-(5-benzyl-1,3,4-oxadiazol-2-yl)-2-[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]acetonitrile;2-(5-methyl-1,3,4-oxadiazol-2-yl)-2-[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]acetonitrile?
The InChIKey is FQCIYISWWGOXFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N7.C24H23N7O.2C24H24N4O2.C18H19N7O/c1-30-13-15-31(16-14-30)25-23(28-21-9-5-6-10-22(21)29-25)20(17-26)24-27-11-12-32(24)18-19-7-3-2-4-8-19;1-30-11-13-31(14-12-30)23-22(26-19-9-5-6-10-20(19)27-23)18(16-25)24-29-28-21(32-24)15-17-7-3-2-4-8-17;1-27-11-13-28(14-12-27)22-15-19-9-5-6-10-21(19)26-23(22)20(16-25)24(29)30-17-18-7-3-2-4-8-18;1-27-11-13-28(14-12-27)23-20(15-19-9-5-6-10-22(19)26-23)21(16-25)24(29)30-17-18-7-3-2-4-8-18;1-12-22-23-18(26-12)13(11-19)16-17(25-9-7-24(2)8-10-25)21-15-6-4-3-5-14(15)20-16/h2-12,20H,13-16,18H2,1H3;2-10,18H,11-15H2,1H3;2-10,15,20H,11-14,17H2,1H3;2-10,15,21H,11-14,17H2,1H3;3-6,13H,7-10H2,1-2H3.
What are the key properties of benzyl 2-cyano-2-[2-(4-methylpiperazin-1-yl)quinolin-3-yl]acetate;benzyl 2-cyano-2-[3-(4-methylpiperazin-1-yl)quinolin-2-yl]acetate;2-(1-benzylimidazol-2-yl)-2-[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]acetonitrile;2-(5-benzyl-1,3,4-oxadiazol-2-yl)-2-[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]acetonitrile;2-(5-methyl-1,3,4-oxadiazol-2-yl)-2-[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]acetonitrile?
benzyl 2-cyano-2-[2-(4-methylpiperazin-1-yl)quinolin-3-yl]acetate;benzyl 2-cyano-2-[3-(4-methylpiperazin-1-yl)quinolin-2-yl]acetate;2-(1-benzylimidazol-2-yl)-2-[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]acetonitrile;2-(5-benzyl-1,3,4-oxadiazol-2-yl)-2-[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]acetonitrile;2-(5-methyl-1,3,4-oxadiazol-2-yl)-2-[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]acetonitrile has a molecular weight of 1999.38 g/mol, XLogP of 14.70, 23 rotatable bonds, 0 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-cyano-2-[2-(4-methylpiperazin-1-yl)quinolin-3-yl]acetate;benzyl 2-cyano-2-[3-(4-methylpiperazin-1-yl)quinolin-2-yl]acetate;2-(1-benzylimidazol-2-yl)-2-[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]acetonitrile;2-(5-benzyl-1,3,4-oxadiazol-2-yl)-2-[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]acetonitrile;2-(5-methyl-1,3,4-oxadiazol-2-yl)-2-[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]acetonitrile is sourced from PubChem (CID 164982049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).