About N-(4-chlorophenyl)-N-[2-methyl-1-[4-(2-morpholin-4-ylethoxy)benzoyl]-3,4-dihydro-2H-quinolin-4-yl]acetamide
N-(4-chlorophenyl)-N-[2-methyl-1-[4-(2-morpholin-4-ylethoxy)benzoyl]-3,4-dihydro-2H-quinolin-4-yl]acetamide (PubChem CID 21092913) has the molecular formula C31H34ClN3O4
and a molecular weight of 548.08 g/mol. Its IUPAC name is N-(4-chlorophenyl)-N-[2-methyl-1-[4-(2-morpholin-4-ylethoxy)benzoyl]-3,4-dihydro-2H-quinolin-4-yl]acetamide.
Molecular Properties
| Compound Name | N-(4-chlorophenyl)-N-[2-methyl-1-[4-(2-morpholin-4-ylethoxy)benzoyl]-3,4-dihydro-2H-quinolin-4-yl]acetamide |
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| PubChem CID | 21092913 |
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| Molecular Formula | C31H34ClN3O4 |
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| Molecular Weight | 548.08 g/mol |
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| Exact Mass | 547.22 |
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| IUPAC Name | N-(4-chlorophenyl)-N-[2-methyl-1-[4-(2-morpholin-4-ylethoxy)benzoyl]-3,4-dihydro-2H-quinolin-4-yl]acetamide |
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| SMILES | CC(=O)N(c1ccc(Cl)cc1)C1CC(C)N(C(=O)c2ccc(OCCN3CCOCC3)cc2)c2ccccc21 |
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| InChI | InChI=1S/C31H34ClN3O4/c1-22-21-30(35(23(2)36)26-11-9-25(32)10-12-26)28-5-3-4-6-29(28)34(22)31(37)24-7-13-27(14-8-24)39-20-17-33-15-18-38-19-16-33/h3-14,22,30H,15-21H2,1-2H3 |
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| InChIKey | DEQIPTYPRGZPAE-UHFFFAOYSA-N |
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| XLogP | 5.58 |
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| TPSA | 62.32 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 5 |
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| Rotatable Bonds | 7 |
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| Heavy Atoms | 39 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 548.08 |
| LogP ≤ 5 | 5.58 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 5 |
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Frequently Asked Questions
What is the IUPAC name of N-(4-chlorophenyl)-N-[2-methyl-1-[4-(2-morpholin-4-ylethoxy)benzoyl]-3,4-dihydro-2H-quinolin-4-yl]acetamide?
The IUPAC name of N-(4-chlorophenyl)-N-[2-methyl-1-[4-(2-morpholin-4-ylethoxy)benzoyl]-3,4-dihydro-2H-quinolin-4-yl]acetamide (CID 21092913) is N-(4-chlorophenyl)-N-[2-methyl-1-[4-(2-morpholin-4-ylethoxy)benzoyl]-3,4-dihydro-2H-quinolin-4-yl]acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-N-[2-methyl-1-[4-(2-morpholin-4-ylethoxy)benzoyl]-3,4-dihydro-2H-quinolin-4-yl]acetamide?
The canonical SMILES for N-(4-chlorophenyl)-N-[2-methyl-1-[4-(2-morpholin-4-ylethoxy)benzoyl]-3,4-dihydro-2H-quinolin-4-yl]acetamide is CC(=O)N(c1ccc(Cl)cc1)C1CC(C)N(C(=O)c2ccc(OCCN3CCOCC3)cc2)c2ccccc21.
What is the InChIKey of N-(4-chlorophenyl)-N-[2-methyl-1-[4-(2-morpholin-4-ylethoxy)benzoyl]-3,4-dihydro-2H-quinolin-4-yl]acetamide?
The InChIKey is DEQIPTYPRGZPAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34ClN3O4/c1-22-21-30(35(23(2)36)26-11-9-25(32)10-12-26)28-5-3-4-6-29(28)34(22)31(37)24-7-13-27(14-8-24)39-20-17-33-15-18-38-19-16-33/h3-14,22,30H,15-21H2,1-2H3.
What are the key properties of N-(4-chlorophenyl)-N-[2-methyl-1-[4-(2-morpholin-4-ylethoxy)benzoyl]-3,4-dihydro-2H-quinolin-4-yl]acetamide?
N-(4-chlorophenyl)-N-[2-methyl-1-[4-(2-morpholin-4-ylethoxy)benzoyl]-3,4-dihydro-2H-quinolin-4-yl]acetamide has a molecular weight of 548.08 g/mol, XLogP of 5.58, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-N-[2-methyl-1-[4-(2-morpholin-4-ylethoxy)benzoyl]-3,4-dihydro-2H-quinolin-4-yl]acetamide is sourced from PubChem (CID 21092913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).