N-[(2S,4R)-1-[4-(1-acetylpiperidin-4-yl)oxybenzoyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-(4-chlorophenyl)acetamide

C32H34ClN3O4 — CID 10415392

About N-[(2S,4R)-1-[4-(1-acetylpiperidin-4-yl)oxybenzoyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-(4-chlorophenyl)acetamide

N-[(2S,4R)-1-[4-(1-acetylpiperidin-4-yl)oxybenzoyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-(4-chlorophenyl)acetamide (PubChem CID 10415392) has the molecular formula C32H34ClN3O4 and a molecular weight of 560.09 g/mol. Its IUPAC name is N-[(2S,4R)-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-[(2S,4R)-1-[4-(1-acetylpiperidin-4-yl)oxybenzoyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-(4-chlorophenyl)acetamide
• PubChem CID: 10415392
• Molecular Formula: C32H34ClN3O4
• Molecular Weight: 560.09 g/mol
• Exact Mass: 559.22
• IUPAC Name: N-[(2S,4R)-1-[4-(1-acetylpiperidin-4-yl)oxybenzoyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-(4-chlorophenyl)acetamide
• SMILES: CC(=O)N1CCC(Oc2ccc(C(=O)N3c4ccccc4[C@H](N(C(C)=O)c4ccc(Cl)cc4)C[C@@H]3C)cc2)CC1
• 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/t21-,31+/m0/s1
• InChIKey: MJGYDGCOWLLVOY-JCOAXYOVSA-N
• XLogP: 6.26
• TPSA: 70.16 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	560.09
LogP ≤ 5	6.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(2S,4R)-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-[(2S,4R)-1-[4-(1-acetylpiperidin-4-yl)oxybenzoyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-(4-chlorophenyl)acetamide (CID 10415392) is N-[(2S,4R)-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-[(2S,4R)-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-[(2S,4R)-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)N3c4ccccc4[C@H](N(C(C)=O)c4ccc(Cl)cc4)C[C@@H]3C)cc2)CC1.

What is the InChIKey of N-[(2S,4R)-1-[4-(1-acetylpiperidin-4-yl)oxybenzoyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-(4-chlorophenyl)acetamide?

The InChIKey is MJGYDGCOWLLVOY-JCOAXYOVSA-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/t21-,31+/m0/s1.

What are the key properties of N-[(2S,4R)-1-[4-(1-acetylpiperidin-4-yl)oxybenzoyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-(4-chlorophenyl)acetamide?

N-[(2S,4R)-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-[(2S,4R)-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 10415392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).