About N-[1-[4-(1-acetylpiperidin-4-yl)oxybenzoyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-(4-chlorophenyl)acetamide
N-[1-[4-(1-acetylpiperidin-4-yl)oxybenzoyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-(4-chlorophenyl)acetamide (PubChem CID 21092891) has the molecular formula C32H34ClN3O4
and a molecular weight of 560.09 g/mol. Its IUPAC name is N-[1-[4-(1-acetylpiperidin-4-yl)oxybenzoyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-(4-chlorophenyl)acetamide.
Molecular Properties
| Compound Name | N-[1-[4-(1-acetylpiperidin-4-yl)oxybenzoyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-(4-chlorophenyl)acetamide |
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| PubChem CID | 21092891 |
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| Molecular Formula | C32H34ClN3O4 |
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| Molecular Weight | 560.09 g/mol |
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| Exact Mass | 559.22 |
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| IUPAC Name | N-[1-[4-(1-acetylpiperidin-4-yl)oxybenzoyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-(4-chlorophenyl)acetamide |
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| SMILES | CC(=O)N1CCC(Oc2ccc(C(=O)N3c4ccccc4C(N(C(C)=O)c4ccc(Cl)cc4)CC3C)cc2)CC1 |
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| InChI | InChI=1S/C32H34ClN3O4/c1-21-20-31(36(23(3)38)26-12-10-25(33)11-13-26)29-6-4-5-7-30(29)35(21)32(39)24-8-14-27(15-9-24)40-28-16-18-34(19-17-28)22(2)37/h4-15,21,28,31H,16-20H2,1-3H3 |
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| InChIKey | MJGYDGCOWLLVOY-UHFFFAOYSA-N |
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| XLogP | 6.26 |
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| TPSA | 70.16 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 4 |
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| Rotatable Bonds | 5 |
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| Heavy Atoms | 40 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 560.09 |
| LogP ≤ 5 | 6.26 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 4 |
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Frequently Asked Questions
What is the IUPAC name of N-[1-[4-(1-acetylpiperidin-4-yl)oxybenzoyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-(4-chlorophenyl)acetamide?
The IUPAC name of N-[1-[4-(1-acetylpiperidin-4-yl)oxybenzoyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-(4-chlorophenyl)acetamide (CID 21092891) is N-[1-[4-(1-acetylpiperidin-4-yl)oxybenzoyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-(4-chlorophenyl)acetamide.
What is the SMILES notation for N-[1-[4-(1-acetylpiperidin-4-yl)oxybenzoyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-(4-chlorophenyl)acetamide?
The canonical SMILES for N-[1-[4-(1-acetylpiperidin-4-yl)oxybenzoyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-(4-chlorophenyl)acetamide is CC(=O)N1CCC(Oc2ccc(C(=O)N3c4ccccc4C(N(C(C)=O)c4ccc(Cl)cc4)CC3C)cc2)CC1.
What is the InChIKey of N-[1-[4-(1-acetylpiperidin-4-yl)oxybenzoyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-(4-chlorophenyl)acetamide?
The InChIKey is MJGYDGCOWLLVOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34ClN3O4/c1-21-20-31(36(23(3)38)26-12-10-25(33)11-13-26)29-6-4-5-7-30(29)35(21)32(39)24-8-14-27(15-9-24)40-28-16-18-34(19-17-28)22(2)37/h4-15,21,28,31H,16-20H2,1-3H3.
What are the key properties of N-[1-[4-(1-acetylpiperidin-4-yl)oxybenzoyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-(4-chlorophenyl)acetamide?
N-[1-[4-(1-acetylpiperidin-4-yl)oxybenzoyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-(4-chlorophenyl)acetamide has a molecular weight of 560.09 g/mol, XLogP of 6.26, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(1-acetylpiperidin-4-yl)oxybenzoyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-(4-chlorophenyl)acetamide is sourced from PubChem (CID 21092891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).