4-[(1R,2S)-1-(6-chloro-8-methylquinolin-4-yl)-1-(4-chlorophenyl)pentan-2-yl]-N-(3-oxobutyl)benzamide;4-[1-(6-chloro-8-methylquinolin-4-yl)-1-(4-chlorophenyl)pentan-2-yl]-N-(3-oxobutyl)benzamide;1-[4-[(1S)-1-[3-(2-ethoxy-5-methylphenyl)-5-(6-methoxynaphthalen-2-yl)pyrazol-1-yl]ethyl]phenyl]hexane-1,5-dione;1-[4-[1-[3-(2-ethoxy-5-methylphenyl)-5-(6-methoxynaphthalen-2-yl)pyrazol-1-yl]ethyl]phenyl]hexane-1,5-dione

C₁₃₈H₁₄₀Cl₄N₈O₁₂ — CID 158216851

About 4-[(1R,2S)-1-(6-chloro-8-methylquinolin-4-yl)-1-(4-chlorophenyl)pentan-2-yl]-N-(3-oxobutyl)benzamide;4-[1-(6-chloro-8-methylquinolin-4-yl)-1-(4-chlorophenyl)pentan-2-yl]-N-(3-oxobutyl)benzamide;1-[4-[(1S)-1-[3-(2-ethoxy-5-methylphenyl)-5-(6-methoxynaphthalen-2-yl)pyrazol-1-yl]ethyl]phenyl]hexane-1,5-dione;1-[4-[1-[3-(2-ethoxy-5-methylphenyl)-5-(6-methoxynaphthalen-2-yl)pyrazol-1-yl]ethyl]phenyl]hexane-1,5-dione

4-[(1R,2S)-1-(6-chloro-8-methylquinolin-4-yl)-1-(4-chlorophenyl)pentan-2-yl]-N-(3-oxobutyl)benzamide;4-[1-(6-chloro-8-methylquinolin-4-yl)-1-(4-chlorophenyl)pentan-2-yl]-N-(3-oxobutyl)benzamide;1-[4-[(1S)-1-[3-(2-ethoxy-5-methylphenyl)-5-(6-methoxynaphthalen-2-yl)pyrazol-1-yl]ethyl]phenyl]hexane-1,5-dione;1-[4-[1-[3-(2-ethoxy-5-methylphenyl)-5-(6-methoxynaphthalen-2-yl)pyrazol-1-yl]ethyl]phenyl]hexane-1,5-dione (PubChem CID 158216851) has the molecular formula C₁₃₈H₁₄₀Cl₄N₈O₁₂ and a molecular weight of 2244.49 g/mol. Its IUPAC name is 4-[(1R,2S)-1-(6-chloro-8-methylquinolin-4-yl)-1-(4-chlorophenyl)pentan-2-yl]-N-(3-oxobutyl)benzamide;4-[1-(6-chloro-8-methylquinolin-4-yl)-1-(4-chlorophenyl)pentan-2-yl]-N-(3-oxobutyl)benzamide;1-[4-[(1S)-1-[3-(2-ethoxy-5-methylphenyl)-5-(6-methoxynaphthalen-2-yl)pyrazol-1-yl]ethyl]phenyl]hexane-1,5-dione;1-[4-[1-[3-(2-ethoxy-5-methylphenyl)-5-(6-methoxynaphthalen-2-yl)pyrazol-1-yl]ethyl]phenyl]hexane-1,5-dione.

Molecular Properties

• Compound Name: 4-[(1R,2S)-1-(6-chloro-8-methylquinolin-4-yl)-1-(4-chlorophenyl)pentan-2-yl]-N-(3-oxobutyl)benzamide;4-[1-(6-chloro-8-methylquinolin-4-yl)-1-(4-chlorophenyl)pentan-2-yl]-N-(3-oxobutyl)benzamide;1-[4-[(1S)-1-[3-(2-ethoxy-5-methylphenyl)-5-(6-methoxynaphthalen-2-yl)pyrazol-1-yl]ethyl]phenyl]hexane-1,5-dione;1-[4-[1-[3-(2-ethoxy-5-methylphenyl)-5-(6-methoxynaphthalen-2-yl)pyrazol-1-yl]ethyl]phenyl]hexane-1,5-dione
• PubChem CID: 158216851
• Molecular Formula: C₁₃₈H₁₄₀Cl₄N₈O₁₂
• Molecular Weight: 2244.49 g/mol
• Exact Mass: 2240.93
• IUPAC Name: 4-[(1R,2S)-1-(6-chloro-8-methylquinolin-4-yl)-1-(4-chlorophenyl)pentan-2-yl]-N-(3-oxobutyl)benzamide;4-[1-(6-chloro-8-methylquinolin-4-yl)-1-(4-chlorophenyl)pentan-2-yl]-N-(3-oxobutyl)benzamide;1-[4-[(1S)-1-[3-(2-ethoxy-5-methylphenyl)-5-(6-methoxynaphthalen-2-yl)pyrazol-1-yl]ethyl]phenyl]hexane-1,5-dione;1-[4-[1-[3-(2-ethoxy-5-methylphenyl)-5-(6-methoxynaphthalen-2-yl)pyrazol-1-yl]ethyl]phenyl]hexane-1,5-dione
• SMILES: CCCC(c1ccc(C(=O)NCCC(C)=O)cc1)C(c1ccc(Cl)cc1)c1ccnc2c(C)cc(Cl)cc12.CCC[C@H](c1ccc(C(=O)NCCC(C)=O)cc1)[C@H](c1ccc(Cl)cc1)c1ccnc2c(C)cc(Cl)cc12.CCOc1ccc(C)cc1-c1cc(-c2ccc3cc(OC)ccc3c2)n(C(C)c2ccc(C(=O)CCCC(C)=O)cc2)n1.CCOc1ccc(C)cc1-c1cc(-c2ccc3cc(OC)ccc3c2)n([C@@H](C)c2ccc(C(=O)CCCC(C)=O)cc2)n1
• InChI: InChI=1S/2C37H38N2O4.2C32H32Cl2N2O2/c2*1-6-43-37-19-10-24(2)20-33(37)34-23-35(31-16-15-30-22-32(42-5)18-17-29(30)21-31)39(38-34)26(4)27-11-13-28(14-12-27)36(41)9-7-8-25(3)40;2*1-4-5-27(22-6-8-24(9-7-22)32(38)36-16-14-21(3)37)30(23-10-12-25(33)13-11-23)28-15-17-35-31-20(2)18-26(34)19-29(28)31/h2*10-23,26H,6-9H2,1-5H3;2*6-13,15,17-19,27,30H,4-5,14,16H2,1-3H3,(H,36,38)/t26-;;27-,30+;/m0.1./s1
• InChIKey: GCTJQNIFNPBXFI-DUJGCRJNSA-N
• XLogP: 33.82
• TPSA: 258.96 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 18
• Rotatable Bonds: 44
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2244.49
LogP ≤ 5	33.82
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 4-[(1R,2S)-1-(6-chloro-8-methylquinolin-4-yl)-1-(4-chlorophenyl)pentan-2-yl]-N-(3-oxobutyl)benzamide;4-[1-(6-chloro-8-methylquinolin-4-yl)-1-(4-chlorophenyl)pentan-2-yl]-N-(3-oxobutyl)benzamide;1-[4-[(1S)-1-[3-(2-ethoxy-5-methylphenyl)-5-(6-methoxynaphthalen-2-yl)pyrazol-1-yl]ethyl]phenyl]hexane-1,5-dione;1-[4-[1-[3-(2-ethoxy-5-methylphenyl)-5-(6-methoxynaphthalen-2-yl)pyrazol-1-yl]ethyl]phenyl]hexane-1,5-dione?

The IUPAC name of 4-[(1R,2S)-1-(6-chloro-8-methylquinolin-4-yl)-1-(4-chlorophenyl)pentan-2-yl]-N-(3-oxobutyl)benzamide;4-[1-(6-chloro-8-methylquinolin-4-yl)-1-(4-chlorophenyl)pentan-2-yl]-N-(3-oxobutyl)benzamide;1-[4-[(1S)-1-[3-(2-ethoxy-5-methylphenyl)-5-(6-methoxynaphthalen-2-yl)pyrazol-1-yl]ethyl]phenyl]hexane-1,5-dione;1-[4-[1-[3-(2-ethoxy-5-methylphenyl)-5-(6-methoxynaphthalen-2-yl)pyrazol-1-yl]ethyl]phenyl]hexane-1,5-dione (CID 158216851) is 4-[(1R,2S)-1-(6-chloro-8-methylquinolin-4-yl)-1-(4-chlorophenyl)pentan-2-yl]-N-(3-oxobutyl)benzamide;4-[1-(6-chloro-8-methylquinolin-4-yl)-1-(4-chlorophenyl)pentan-2-yl]-N-(3-oxobutyl)benzamide;1-[4-[(1S)-1-[3-(2-ethoxy-5-methylphenyl)-5-(6-methoxynaphthalen-2-yl)pyrazol-1-yl]ethyl]phenyl]hexane-1,5-dione;1-[4-[1-[3-(2-ethoxy-5-methylphenyl)-5-(6-methoxynaphthalen-2-yl)pyrazol-1-yl]ethyl]phenyl]hexane-1,5-dione.

What is the SMILES notation for 4-[(1R,2S)-1-(6-chloro-8-methylquinolin-4-yl)-1-(4-chlorophenyl)pentan-2-yl]-N-(3-oxobutyl)benzamide;4-[1-(6-chloro-8-methylquinolin-4-yl)-1-(4-chlorophenyl)pentan-2-yl]-N-(3-oxobutyl)benzamide;1-[4-[(1S)-1-[3-(2-ethoxy-5-methylphenyl)-5-(6-methoxynaphthalen-2-yl)pyrazol-1-yl]ethyl]phenyl]hexane-1,5-dione;1-[4-[1-[3-(2-ethoxy-5-methylphenyl)-5-(6-methoxynaphthalen-2-yl)pyrazol-1-yl]ethyl]phenyl]hexane-1,5-dione?

The canonical SMILES for 4-[(1R,2S)-1-(6-chloro-8-methylquinolin-4-yl)-1-(4-chlorophenyl)pentan-2-yl]-N-(3-oxobutyl)benzamide;4-[1-(6-chloro-8-methylquinolin-4-yl)-1-(4-chlorophenyl)pentan-2-yl]-N-(3-oxobutyl)benzamide;1-[4-[(1S)-1-[3-(2-ethoxy-5-methylphenyl)-5-(6-methoxynaphthalen-2-yl)pyrazol-1-yl]ethyl]phenyl]hexane-1,5-dione;1-[4-[1-[3-(2-ethoxy-5-methylphenyl)-5-(6-methoxynaphthalen-2-yl)pyrazol-1-yl]ethyl]phenyl]hexane-1,5-dione is CCCC(c1ccc(C(=O)NCCC(C)=O)cc1)C(c1ccc(Cl)cc1)c1ccnc2c(C)cc(Cl)cc12.CCC[C@H](c1ccc(C(=O)NCCC(C)=O)cc1)[C@H](c1ccc(Cl)cc1)c1ccnc2c(C)cc(Cl)cc12.CCOc1ccc(C)cc1-c1cc(-c2ccc3cc(OC)ccc3c2)n(C(C)c2ccc(C(=O)CCCC(C)=O)cc2)n1.CCOc1ccc(C)cc1-c1cc(-c2ccc3cc(OC)ccc3c2)n([C@@H](C)c2ccc(C(=O)CCCC(C)=O)cc2)n1.

What is the InChIKey of 4-[(1R,2S)-1-(6-chloro-8-methylquinolin-4-yl)-1-(4-chlorophenyl)pentan-2-yl]-N-(3-oxobutyl)benzamide;4-[1-(6-chloro-8-methylquinolin-4-yl)-1-(4-chlorophenyl)pentan-2-yl]-N-(3-oxobutyl)benzamide;1-[4-[(1S)-1-[3-(2-ethoxy-5-methylphenyl)-5-(6-methoxynaphthalen-2-yl)pyrazol-1-yl]ethyl]phenyl]hexane-1,5-dione;1-[4-[1-[3-(2-ethoxy-5-methylphenyl)-5-(6-methoxynaphthalen-2-yl)pyrazol-1-yl]ethyl]phenyl]hexane-1,5-dione?

The InChIKey is GCTJQNIFNPBXFI-DUJGCRJNSA-N. The full InChI is InChI=1S/2C37H38N2O4.2C32H32Cl2N2O2/c2*1-6-43-37-19-10-24(2)20-33(37)34-23-35(31-16-15-30-22-32(42-5)18-17-29(30)21-31)39(38-34)26(4)27-11-13-28(14-12-27)36(41)9-7-8-25(3)40;2*1-4-5-27(22-6-8-24(9-7-22)32(38)36-16-14-21(3)37)30(23-10-12-25(33)13-11-23)28-15-17-35-31-20(2)18-26(34)19-29(28)31/h2*10-23,26H,6-9H2,1-5H3;2*6-13,15,17-19,27,30H,4-5,14,16H2,1-3H3,(H,36,38)/t26-;;27-,30+;/m0.1./s1.

What are the key properties of 4-[(1R,2S)-1-(6-chloro-8-methylquinolin-4-yl)-1-(4-chlorophenyl)pentan-2-yl]-N-(3-oxobutyl)benzamide;4-[1-(6-chloro-8-methylquinolin-4-yl)-1-(4-chlorophenyl)pentan-2-yl]-N-(3-oxobutyl)benzamide;1-[4-[(1S)-1-[3-(2-ethoxy-5-methylphenyl)-5-(6-methoxynaphthalen-2-yl)pyrazol-1-yl]ethyl]phenyl]hexane-1,5-dione;1-[4-[1-[3-(2-ethoxy-5-methylphenyl)-5-(6-methoxynaphthalen-2-yl)pyrazol-1-yl]ethyl]phenyl]hexane-1,5-dione?

4-[(1R,2S)-1-(6-chloro-8-methylquinolin-4-yl)-1-(4-chlorophenyl)pentan-2-yl]-N-(3-oxobutyl)benzamide;4-[1-(6-chloro-8-methylquinolin-4-yl)-1-(4-chlorophenyl)pentan-2-yl]-N-(3-oxobutyl)benzamide;1-[4-[(1S)-1-[3-(2-ethoxy-5-methylphenyl)-5-(6-methoxynaphthalen-2-yl)pyrazol-1-yl]ethyl]phenyl]hexane-1,5-dione;1-[4-[1-[3-(2-ethoxy-5-methylphenyl)-5-(6-methoxynaphthalen-2-yl)pyrazol-1-yl]ethyl]phenyl]hexane-1,5-dione has a molecular weight of 2244.49 g/mol, XLogP of 33.82, 44 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(1R,2S)-1-(6-chloro-8-methylquinolin-4-yl)-1-(4-chlorophenyl)pentan-2-yl]-N-(3-oxobutyl)benzamide;4-[1-(6-chloro-8-methylquinolin-4-yl)-1-(4-chlorophenyl)pentan-2-yl]-N-(3-oxobutyl)benzamide;1-[4-[(1S)-1-[3-(2-ethoxy-5-methylphenyl)-5-(6-methoxynaphthalen-2-yl)pyrazol-1-yl]ethyl]phenyl]hexane-1,5-dione;1-[4-[1-[3-(2-ethoxy-5-methylphenyl)-5-(6-methoxynaphthalen-2-yl)pyrazol-1-yl]ethyl]phenyl]hexane-1,5-dione is sourced from PubChem (CID 158216851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158216851 — identifiers, structure, computed properties (public domain)

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