N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methylquinolin-6-yl]-2-(3H-inden-1-yl)-2-oxoacetamide;N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-2-(3H-inden-1-yl)-2-oxoacetamide;bis(2-(1H-indol-3-yl)-N-[3-[1-(oxan-2-yl)-5-(1-phenyl-1,2,4-triazol-3-yl)indazol-3-yl]phenyl]-2-oxoacetamide);bis(2-(1H-indol-3-yl)-2-oxo-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]acetamide);2-(1H-indol-3-yl)-2-oxo-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indol-3-yl]phenyl]acetamide;methyl 3-[[2-(3H-inden-1-yl)-2-oxoacetyl]amino]benzoate;bis(prop-1-yne)

C226H189N43O20 — CID 159529851

About N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methylquinolin-6-yl]-2-(3H-inden-1-yl)-2-oxoacetamide;N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-2-(3H-inden-1-yl)-2-oxoacetamide;bis(2-(1H-indol-3-yl)-N-[3-[1-(oxan-2-yl)-5-(1-phenyl-1,2,4-triazol-3-yl)indazol-3-yl]phenyl]-2-oxoacetamide);bis(2-(1H-indol-3-yl)-2-oxo-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]acetamide);2-(1H-indol-3-yl)-2-oxo-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indol-3-yl]phenyl]acetamide;methyl 3-[[2-(3H-inden-1-yl)-2-oxoacetyl]amino]benzoate;bis(prop-1-yne)

N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methylquinolin-6-yl]-2-(3H-inden-1-yl)-2-oxoacetamide;N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-2-(3H-inden-1-yl)-2-oxoacetamide;bis(2-(1H-indol-3-yl)-N-[3-[1-(oxan-2-yl)-5-(1-phenyl-1,2,4-triazol-3-yl)indazol-3-yl]phenyl]-2-oxoacetamide);bis(2-(1H-indol-3-yl)-2-oxo-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]acetamide);2-(1H-indol-3-yl)-2-oxo-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indol-3-yl]phenyl]acetamide;methyl 3-[[2-(3H-inden-1-yl)-2-oxoacetyl]amino]benzoate;bis(prop-1-yne) (PubChem CID 159529851) has the molecular formula C226H189N43O20 and a molecular weight of 3827.28 g/mol. Its IUPAC name is N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methylquinolin-6-yl]-2-(3H-inden-1-yl)-2-oxoacetamide;N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-2-(3H-inden-1-yl)-2-oxoacetamide;bis(2-(1H-indol-3-yl)-N-[3-[1-(oxan-2-yl)-5-(1-phenyl-1,2,4-triazol-3-yl)indazol-3-yl]phenyl]-2-oxoacetamide);bis(2-(1H-indol-3-yl)-2-oxo-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]acetamide);2-(1H-indol-3-yl)-2-oxo-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indol-3-yl]phenyl]acetamide;methyl 3-[[2-(3H-inden-1-yl)-2-oxoacetyl]amino]benzoate;bis(prop-1-yne).

Molecular Properties

• Compound Name: N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methylquinolin-6-yl]-2-(3H-inden-1-yl)-2-oxoacetamide;N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-2-(3H-inden-1-yl)-2-oxoacetamide;bis(2-(1H-indol-3-yl)-N-[3-[1-(oxan-2-yl)-5-(1-phenyl-1,2,4-triazol-3-yl)indazol-3-yl]phenyl]-2-oxoacetamide);bis(2-(1H-indol-3-yl)-2-oxo-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]acetamide);2-(1H-indol-3-yl)-2-oxo-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indol-3-yl]phenyl]acetamide;methyl 3-[[2-(3H-inden-1-yl)-2-oxoacetyl]amino]benzoate;bis(prop-1-yne)
• PubChem CID: 159529851
• Molecular Formula: C226H189N43O20
• Molecular Weight: 3827.28 g/mol
• Exact Mass: 3824.51
• IUPAC Name: N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methylquinolin-6-yl]-2-(3H-inden-1-yl)-2-oxoacetamide;N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-2-(3H-inden-1-yl)-2-oxoacetamide;bis(2-(1H-indol-3-yl)-N-[3-[1-(oxan-2-yl)-5-(1-phenyl-1,2,4-triazol-3-yl)indazol-3-yl]phenyl]-2-oxoacetamide);bis(2-(1H-indol-3-yl)-2-oxo-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]acetamide);2-(1H-indol-3-yl)-2-oxo-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indol-3-yl]phenyl]acetamide;methyl 3-[[2-(3H-inden-1-yl)-2-oxoacetyl]amino]benzoate;bis(prop-1-yne)
• SMILES: C#CC.C#CC.CCN1CCN(c2cc(C)c3cc(NC(=O)C(=O)C4=CCc5ccccc54)ccc3n2)CC1.COC(=O)c1cccc(NC(=O)C(=O)C2=CCc3ccccc32)c1.Cc1cc(N(C)CCN(C)C)nc2ccc(NC(=O)C(=O)C3=CCc4ccccc43)cc12.O=C(Nc1cccc(-c2c[nH]c3ccc(-c4ncn[nH]4)cc23)c1)C(=O)c1c[nH]c2ccccc12.O=C(Nc1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1)C(=O)c1c[nH]c2ccccc12.O=C(Nc1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1)C(=O)c1c[nH]c2ccccc12.O=C(Nc1cccc(-c2nn(C3CCCCO3)c3ccc(-c4ncn(-c5ccccc5)n4)cc23)c1)C(=O)c1c[nH]c2ccccc12.O=C(Nc1cccc(-c2nn(C3CCCCO3)c3ccc(-c4ncn(-c5ccccc5)n4)cc23)c1)C(=O)c1c[nH]c2ccccc12
• InChI: InChI=1S/2C36H29N7O3.C27H28N4O2.C26H18N6O2.C26H28N4O2.2C25H17N7O2.C19H15NO4.2C3H4/c2*44-34(29-21-37-30-14-5-4-13-27(29)30)36(45)39-25-10-8-9-23(19-25)33-28-20-24(35-38-22-42(41-35)26-11-2-1-3-12-26)16-17-31(28)43(40-33)32-15-6-7-18-46-32;1-3-30-12-14-31(15-13-30)25-16-18(2)23-17-20(9-11-24(23)29-25)28-27(33)26(32)22-10-8-19-6-4-5-7-21(19)22;33-24(21-13-28-22-7-2-1-6-18(21)22)26(34)31-17-5-3-4-15(10-17)20-12-27-23-9-8-16(11-19(20)23)25-29-14-30-32-25;1-17-15-24(30(4)14-13-29(2)3)28-23-12-10-19(16-22(17)23)27-26(32)25(31)21-11-9-18-7-5-6-8-20(18)21;2*33-23(19-12-26-20-7-2-1-6-17(19)20)25(34)29-16-5-3-4-14(10-16)22-18-11-15(24-27-13-28-32-24)8-9-21(18)30-31-22;1-24-19(23)13-6-4-7-14(11-13)20-18(22)17(21)16-10-9-12-5-2-3-8-15(12)16;2*1-3-2/h2*1-5,8-14,16-17,19-22,32,37H,6-7,15,18H2,(H,39,45);4-7,9-11,16-17H,3,8,12-15H2,1-2H3,(H,28,33);1-14,27-28H,(H,31,34)(H,29,30,32);5-8,10-12,15-16H,9,13-14H2,1-4H3,(H,27,32);2*1-13,26H,(H,29,34)(H,30,31)(H,27,28,32);2-8,10-11H,9H2,1H3,(H,20,22);2*1H,2H3
• InChIKey: MCVVNZPRXBQRKL-UHFFFAOYSA-N
• XLogP: 38.88
• TPSA: 826.73 Ų
• H-Bond Donors: 19
• H-Bond Acceptors: 44
• Rotatable Bonds: 45
• Heavy Atoms: 289
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3827.28
LogP ≤ 5	38.88
H-Bond Donors ≤ 5	19
H-Bond Acceptors ≤ 10	44

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methylquinolin-6-yl]-2-(3H-inden-1-yl)-2-oxoacetamide;N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-2-(3H-inden-1-yl)-2-oxoacetamide;bis(2-(1H-indol-3-yl)-N-[3-[1-(oxan-2-yl)-5-(1-phenyl-1,2,4-triazol-3-yl)indazol-3-yl]phenyl]-2-oxoacetamide);bis(2-(1H-indol-3-yl)-2-oxo-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]acetamide);2-(1H-indol-3-yl)-2-oxo-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indol-3-yl]phenyl]acetamide;methyl 3-[[2-(3H-inden-1-yl)-2-oxoacetyl]amino]benzoate;bis(prop-1-yne)?

The IUPAC name of N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methylquinolin-6-yl]-2-(3H-inden-1-yl)-2-oxoacetamide;N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-2-(3H-inden-1-yl)-2-oxoacetamide;bis(2-(1H-indol-3-yl)-N-[3-[1-(oxan-2-yl)-5-(1-phenyl-1,2,4-triazol-3-yl)indazol-3-yl]phenyl]-2-oxoacetamide);bis(2-(1H-indol-3-yl)-2-oxo-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]acetamide);2-(1H-indol-3-yl)-2-oxo-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indol-3-yl]phenyl]acetamide;methyl 3-[[2-(3H-inden-1-yl)-2-oxoacetyl]amino]benzoate;bis(prop-1-yne) (CID 159529851) is N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methylquinolin-6-yl]-2-(3H-inden-1-yl)-2-oxoacetamide;N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-2-(3H-inden-1-yl)-2-oxoacetamide;bis(2-(1H-indol-3-yl)-N-[3-[1-(oxan-2-yl)-5-(1-phenyl-1,2,4-triazol-3-yl)indazol-3-yl]phenyl]-2-oxoacetamide);bis(2-(1H-indol-3-yl)-2-oxo-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]acetamide);2-(1H-indol-3-yl)-2-oxo-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indol-3-yl]phenyl]acetamide;methyl 3-[[2-(3H-inden-1-yl)-2-oxoacetyl]amino]benzoate;bis(prop-1-yne).

What is the SMILES notation for N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methylquinolin-6-yl]-2-(3H-inden-1-yl)-2-oxoacetamide;N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-2-(3H-inden-1-yl)-2-oxoacetamide;bis(2-(1H-indol-3-yl)-N-[3-[1-(oxan-2-yl)-5-(1-phenyl-1,2,4-triazol-3-yl)indazol-3-yl]phenyl]-2-oxoacetamide);bis(2-(1H-indol-3-yl)-2-oxo-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]acetamide);2-(1H-indol-3-yl)-2-oxo-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indol-3-yl]phenyl]acetamide;methyl 3-[[2-(3H-inden-1-yl)-2-oxoacetyl]amino]benzoate;bis(prop-1-yne)?

The canonical SMILES for N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methylquinolin-6-yl]-2-(3H-inden-1-yl)-2-oxoacetamide;N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-2-(3H-inden-1-yl)-2-oxoacetamide;bis(2-(1H-indol-3-yl)-N-[3-[1-(oxan-2-yl)-5-(1-phenyl-1,2,4-triazol-3-yl)indazol-3-yl]phenyl]-2-oxoacetamide);bis(2-(1H-indol-3-yl)-2-oxo-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]acetamide);2-(1H-indol-3-yl)-2-oxo-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indol-3-yl]phenyl]acetamide;methyl 3-[[2-(3H-inden-1-yl)-2-oxoacetyl]amino]benzoate;bis(prop-1-yne) is C#CC.C#CC.CCN1CCN(c2cc(C)c3cc(NC(=O)C(=O)C4=CCc5ccccc54)ccc3n2)CC1.COC(=O)c1cccc(NC(=O)C(=O)C2=CCc3ccccc32)c1.Cc1cc(N(C)CCN(C)C)nc2ccc(NC(=O)C(=O)C3=CCc4ccccc43)cc12.O=C(Nc1cccc(-c2c[nH]c3ccc(-c4ncn[nH]4)cc23)c1)C(=O)c1c[nH]c2ccccc12.O=C(Nc1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1)C(=O)c1c[nH]c2ccccc12.O=C(Nc1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1)C(=O)c1c[nH]c2ccccc12.O=C(Nc1cccc(-c2nn(C3CCCCO3)c3ccc(-c4ncn(-c5ccccc5)n4)cc23)c1)C(=O)c1c[nH]c2ccccc12.O=C(Nc1cccc(-c2nn(C3CCCCO3)c3ccc(-c4ncn(-c5ccccc5)n4)cc23)c1)C(=O)c1c[nH]c2ccccc12.

What is the InChIKey of N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methylquinolin-6-yl]-2-(3H-inden-1-yl)-2-oxoacetamide;N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-2-(3H-inden-1-yl)-2-oxoacetamide;bis(2-(1H-indol-3-yl)-N-[3-[1-(oxan-2-yl)-5-(1-phenyl-1,2,4-triazol-3-yl)indazol-3-yl]phenyl]-2-oxoacetamide);bis(2-(1H-indol-3-yl)-2-oxo-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]acetamide);2-(1H-indol-3-yl)-2-oxo-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indol-3-yl]phenyl]acetamide;methyl 3-[[2-(3H-inden-1-yl)-2-oxoacetyl]amino]benzoate;bis(prop-1-yne)?

The InChIKey is MCVVNZPRXBQRKL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C36H29N7O3.C27H28N4O2.C26H18N6O2.C26H28N4O2.2C25H17N7O2.C19H15NO4.2C3H4/c2*44-34(29-21-37-30-14-5-4-13-27(29)30)36(45)39-25-10-8-9-23(19-25)33-28-20-24(35-38-22-42(41-35)26-11-2-1-3-12-26)16-17-31(28)43(40-33)32-15-6-7-18-46-32;1-3-30-12-14-31(15-13-30)25-16-18(2)23-17-20(9-11-24(23)29-25)28-27(33)26(32)22-10-8-19-6-4-5-7-21(19)22;33-24(21-13-28-22-7-2-1-6-18(21)22)26(34)31-17-5-3-4-15(10-17)20-12-27-23-9-8-16(11-19(20)23)25-29-14-30-32-25;1-17-15-24(30(4)14-13-29(2)3)28-23-12-10-19(16-22(17)23)27-26(32)25(31)21-11-9-18-7-5-6-8-20(18)21;2*33-23(19-12-26-20-7-2-1-6-17(19)20)25(34)29-16-5-3-4-14(10-16)22-18-11-15(24-27-13-28-32-24)8-9-21(18)30-31-22;1-24-19(23)13-6-4-7-14(11-13)20-18(22)17(21)16-10-9-12-5-2-3-8-15(12)16;2*1-3-2/h2*1-5,8-14,16-17,19-22,32,37H,6-7,15,18H2,(H,39,45);4-7,9-11,16-17H,3,8,12-15H2,1-2H3,(H,28,33);1-14,27-28H,(H,31,34)(H,29,30,32);5-8,10-12,15-16H,9,13-14H2,1-4H3,(H,27,32);2*1-13,26H,(H,29,34)(H,30,31)(H,27,28,32);2-8,10-11H,9H2,1H3,(H,20,22);2*1H,2H3.

What are the key properties of N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methylquinolin-6-yl]-2-(3H-inden-1-yl)-2-oxoacetamide;N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-2-(3H-inden-1-yl)-2-oxoacetamide;bis(2-(1H-indol-3-yl)-N-[3-[1-(oxan-2-yl)-5-(1-phenyl-1,2,4-triazol-3-yl)indazol-3-yl]phenyl]-2-oxoacetamide);bis(2-(1H-indol-3-yl)-2-oxo-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]acetamide);2-(1H-indol-3-yl)-2-oxo-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indol-3-yl]phenyl]acetamide;methyl 3-[[2-(3H-inden-1-yl)-2-oxoacetyl]amino]benzoate;bis(prop-1-yne)?

N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methylquinolin-6-yl]-2-(3H-inden-1-yl)-2-oxoacetamide;N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-2-(3H-inden-1-yl)-2-oxoacetamide;bis(2-(1H-indol-3-yl)-N-[3-[1-(oxan-2-yl)-5-(1-phenyl-1,2,4-triazol-3-yl)indazol-3-yl]phenyl]-2-oxoacetamide);bis(2-(1H-indol-3-yl)-2-oxo-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]acetamide);2-(1H-indol-3-yl)-2-oxo-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indol-3-yl]phenyl]acetamide;methyl 3-[[2-(3H-inden-1-yl)-2-oxoacetyl]amino]benzoate;bis(prop-1-yne) has a molecular weight of 3827.28 g/mol, XLogP of 38.88, 45 rotatable bonds, 19 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methylquinolin-6-yl]-2-(3H-inden-1-yl)-2-oxoacetamide;N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-2-(3H-inden-1-yl)-2-oxoacetamide;bis(2-(1H-indol-3-yl)-N-[3-[1-(oxan-2-yl)-5-(1-phenyl-1,2,4-triazol-3-yl)indazol-3-yl]phenyl]-2-oxoacetamide);bis(2-(1H-indol-3-yl)-2-oxo-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]acetamide);2-(1H-indol-3-yl)-2-oxo-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indol-3-yl]phenyl]acetamide;methyl 3-[[2-(3H-inden-1-yl)-2-oxoacetyl]amino]benzoate;bis(prop-1-yne) is sourced from PubChem (CID 159529851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).