4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]-N-[[5-[4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]phenyl]-1,3,4-oxadiazol-2-yl]methyl]benzamide

C42H45N7O4 — CID 153348075

About 4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]-N-[[5-[4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]phenyl]-1,3,4-oxadiazol-2-yl]methyl]benzamide

4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]-N-[[5-[4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]phenyl]-1,3,4-oxadiazol-2-yl]methyl]benzamide (PubChem CID 153348075) has the molecular formula C42H45N7O4 and a molecular weight of 711.87 g/mol. Its IUPAC name is 4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]-N-[[5-[4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]phenyl]-1,3,4-oxadiazol-2-yl]methyl]benzamide.

Molecular Properties

• Compound Name: 4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]-N-[[5-[4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]phenyl]-1,3,4-oxadiazol-2-yl]methyl]benzamide
• PubChem CID: 153348075
• Molecular Formula: C42H45N7O4
• Molecular Weight: 711.87 g/mol
• Exact Mass: 711.35
• IUPAC Name: 4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]-N-[[5-[4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]phenyl]-1,3,4-oxadiazol-2-yl]methyl]benzamide
• SMILES: CCC(=O)N1c2ccccc2[C@H](Nc2ccc(C(=O)NCc3nnc(-c4ccc(N[C@@H]5C[C@H](C)N(C(=O)CC)c6ccccc65)cc4)o3)cc2)C[C@@H]1C
• InChI: InChI=1S/C42H45N7O4/c1-5-39(50)48-26(3)23-34(32-11-7-9-13-36(32)48)44-30-19-15-28(16-20-30)41(52)43-25-38-46-47-42(53-38)29-17-21-31(22-18-29)45-35-24-27(4)49(40(51)6-2)37-14-10-8-12-33(35)37/h7-22,26-27,34-35,44-45H,5-6,23-25H2,1-4H3,(H,43,52)/t26-,27-,34+,35+/m0/s1
• InChIKey: NNNKQSKJZGDFPG-RLCYBDLISA-N
• XLogP: 8.04
• TPSA: 132.70 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	711.87
LogP ≤ 5	8.04
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]-N-[[5-[4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]phenyl]-1,3,4-oxadiazol-2-yl]methyl]benzamide?

The IUPAC name of 4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]-N-[[5-[4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]phenyl]-1,3,4-oxadiazol-2-yl]methyl]benzamide (CID 153348075) is 4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]-N-[[5-[4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]phenyl]-1,3,4-oxadiazol-2-yl]methyl]benzamide.

What is the SMILES notation for 4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]-N-[[5-[4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]phenyl]-1,3,4-oxadiazol-2-yl]methyl]benzamide?

The canonical SMILES for 4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]-N-[[5-[4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]phenyl]-1,3,4-oxadiazol-2-yl]methyl]benzamide is CCC(=O)N1c2ccccc2[C@H](Nc2ccc(C(=O)NCc3nnc(-c4ccc(N[C@@H]5C[C@H](C)N(C(=O)CC)c6ccccc65)cc4)o3)cc2)C[C@@H]1C.

What is the InChIKey of 4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]-N-[[5-[4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]phenyl]-1,3,4-oxadiazol-2-yl]methyl]benzamide?

The InChIKey is NNNKQSKJZGDFPG-RLCYBDLISA-N. The full InChI is InChI=1S/C42H45N7O4/c1-5-39(50)48-26(3)23-34(32-11-7-9-13-36(32)48)44-30-19-15-28(16-20-30)41(52)43-25-38-46-47-42(53-38)29-17-21-31(22-18-29)45-35-24-27(4)49(40(51)6-2)37-14-10-8-12-33(35)37/h7-22,26-27,34-35,44-45H,5-6,23-25H2,1-4H3,(H,43,52)/t26-,27-,34+,35+/m0/s1.

What are the key properties of 4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]-N-[[5-[4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]phenyl]-1,3,4-oxadiazol-2-yl]methyl]benzamide?

4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]-N-[[5-[4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]phenyl]-1,3,4-oxadiazol-2-yl]methyl]benzamide has a molecular weight of 711.87 g/mol, XLogP of 8.04, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]-N-[[5-[4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]phenyl]-1,3,4-oxadiazol-2-yl]methyl]benzamide is sourced from PubChem (CID 153348075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).