2-(dimethylamino)ethyl 1-[[4-[2-[5-[4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]phenyl]-1,3,4-oxadiazol-2-yl]ethylcarbamoyl]phenyl]methyl]-4-oxo-6,7-dihydro-5H-indole-2-carboxylate

C44H49N7O6 — CID 155773014

About 2-(dimethylamino)ethyl 1-[[4-[2-[5-[4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]phenyl]-1,3,4-oxadiazol-2-yl]ethylcarbamoyl]phenyl]methyl]-4-oxo-6,7-dihydro-5H-indole-2-carboxylate

2-(dimethylamino)ethyl 1-[[4-[2-[5-[4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]phenyl]-1,3,4-oxadiazol-2-yl]ethylcarbamoyl]phenyl]methyl]-4-oxo-6,7-dihydro-5H-indole-2-carboxylate (PubChem CID 155773014) has the molecular formula C44H49N7O6 and a molecular weight of 771.92 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl 1-[[4-[2-[5-[4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]phenyl]-1,3,4-oxadiazol-2-yl]ethylcarbamoyl]phenyl]methyl]-4-oxo-6,7-dihydro-5H-indole-2-carboxylate.

Molecular Properties

• Compound Name: 2-(dimethylamino)ethyl 1-[[4-[2-[5-[4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]phenyl]-1,3,4-oxadiazol-2-yl]ethylcarbamoyl]phenyl]methyl]-4-oxo-6,7-dihydro-5H-indole-2-carboxylate
• PubChem CID: 155773014
• Molecular Formula: C44H49N7O6
• Molecular Weight: 771.92 g/mol
• Exact Mass: 771.37
• IUPAC Name: 2-(dimethylamino)ethyl 1-[[4-[2-[5-[4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]phenyl]-1,3,4-oxadiazol-2-yl]ethylcarbamoyl]phenyl]methyl]-4-oxo-6,7-dihydro-5H-indole-2-carboxylate
• SMILES: CCC(=O)N1c2ccccc2[C@H](Nc2ccc(-c3nnc(CCNC(=O)c4ccc(Cn5c(C(=O)OCCN(C)C)cc6c5CCCC6=O)cc4)o3)cc2)C[C@@H]1C
• InChI: InChI=1S/C44H49N7O6/c1-5-41(53)51-28(2)25-35(33-9-6-7-10-37(33)51)46-32-19-17-31(18-20-32)43-48-47-40(57-43)21-22-45-42(54)30-15-13-29(14-16-30)27-50-36-11-8-12-39(52)34(36)26-38(50)44(55)56-24-23-49(3)4/h6-7,9-10,13-20,26,28,35,46H,5,8,11-12,21-25,27H2,1-4H3,(H,45,54)/t28-,35+/m0/s1
• InChIKey: KTVNLBJVJQBGEM-JADSYQMUSA-N
• XLogP: 6.48
• TPSA: 151.90 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 14
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	771.92
LogP ≤ 5	6.48
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethyl 1-[[4-[2-[5-[4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]phenyl]-1,3,4-oxadiazol-2-yl]ethylcarbamoyl]phenyl]methyl]-4-oxo-6,7-dihydro-5H-indole-2-carboxylate?

The IUPAC name of 2-(dimethylamino)ethyl 1-[[4-[2-[5-[4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]phenyl]-1,3,4-oxadiazol-2-yl]ethylcarbamoyl]phenyl]methyl]-4-oxo-6,7-dihydro-5H-indole-2-carboxylate (CID 155773014) is 2-(dimethylamino)ethyl 1-[[4-[2-[5-[4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]phenyl]-1,3,4-oxadiazol-2-yl]ethylcarbamoyl]phenyl]methyl]-4-oxo-6,7-dihydro-5H-indole-2-carboxylate.

What is the SMILES notation for 2-(dimethylamino)ethyl 1-[[4-[2-[5-[4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]phenyl]-1,3,4-oxadiazol-2-yl]ethylcarbamoyl]phenyl]methyl]-4-oxo-6,7-dihydro-5H-indole-2-carboxylate?

The canonical SMILES for 2-(dimethylamino)ethyl 1-[[4-[2-[5-[4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]phenyl]-1,3,4-oxadiazol-2-yl]ethylcarbamoyl]phenyl]methyl]-4-oxo-6,7-dihydro-5H-indole-2-carboxylate is CCC(=O)N1c2ccccc2[C@H](Nc2ccc(-c3nnc(CCNC(=O)c4ccc(Cn5c(C(=O)OCCN(C)C)cc6c5CCCC6=O)cc4)o3)cc2)C[C@@H]1C.

What is the InChIKey of 2-(dimethylamino)ethyl 1-[[4-[2-[5-[4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]phenyl]-1,3,4-oxadiazol-2-yl]ethylcarbamoyl]phenyl]methyl]-4-oxo-6,7-dihydro-5H-indole-2-carboxylate?

The InChIKey is KTVNLBJVJQBGEM-JADSYQMUSA-N. The full InChI is InChI=1S/C44H49N7O6/c1-5-41(53)51-28(2)25-35(33-9-6-7-10-37(33)51)46-32-19-17-31(18-20-32)43-48-47-40(57-43)21-22-45-42(54)30-15-13-29(14-16-30)27-50-36-11-8-12-39(52)34(36)26-38(50)44(55)56-24-23-49(3)4/h6-7,9-10,13-20,26,28,35,46H,5,8,11-12,21-25,27H2,1-4H3,(H,45,54)/t28-,35+/m0/s1.

What are the key properties of 2-(dimethylamino)ethyl 1-[[4-[2-[5-[4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]phenyl]-1,3,4-oxadiazol-2-yl]ethylcarbamoyl]phenyl]methyl]-4-oxo-6,7-dihydro-5H-indole-2-carboxylate?

2-(dimethylamino)ethyl 1-[[4-[2-[5-[4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]phenyl]-1,3,4-oxadiazol-2-yl]ethylcarbamoyl]phenyl]methyl]-4-oxo-6,7-dihydro-5H-indole-2-carboxylate has a molecular weight of 771.92 g/mol, XLogP of 6.48, 14 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(dimethylamino)ethyl 1-[[4-[2-[5-[4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]phenyl]-1,3,4-oxadiazol-2-yl]ethylcarbamoyl]phenyl]methyl]-4-oxo-6,7-dihydro-5H-indole-2-carboxylate is sourced from PubChem (CID 155773014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).