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

C31H34ClN3O4 — CID 10370260

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

N-(4-chlorophenyl)-N-[(2S,4R)-2-methyl-1-[4-(2-morpholin-4-ylethoxy)benzoyl]-3,4-dihydro-2H-quinolin-4-yl]acetamide (PubChem CID 10370260) has the molecular formula C31H34ClN3O4 and a molecular weight of 548.08 g/mol. Its IUPAC name is N-(4-chlorophenyl)-N-[(2S,4R)-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-[(2S,4R)-2-methyl-1-[4-(2-morpholin-4-ylethoxy)benzoyl]-3,4-dihydro-2H-quinolin-4-yl]acetamide
• PubChem CID: 10370260
• Molecular Formula: C31H34ClN3O4
• Molecular Weight: 548.08 g/mol
• Exact Mass: 547.22
• IUPAC Name: N-(4-chlorophenyl)-N-[(2S,4R)-2-methyl-1-[4-(2-morpholin-4-ylethoxy)benzoyl]-3,4-dihydro-2H-quinolin-4-yl]acetamide
• SMILES: CC(=O)N(c1ccc(Cl)cc1)[C@@H]1C[C@H](C)N(C(=O)c2ccc(OCCN3CCOCC3)cc2)c2ccccc21
• 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/t22-,30+/m0/s1
• InChIKey: DEQIPTYPRGZPAE-SMSORMJASA-N
• XLogP: 5.58
• TPSA: 62.32 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	548.08
LogP ≤ 5	5.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-N-[(2S,4R)-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-[(2S,4R)-2-methyl-1-[4-(2-morpholin-4-ylethoxy)benzoyl]-3,4-dihydro-2H-quinolin-4-yl]acetamide (CID 10370260) is N-(4-chlorophenyl)-N-[(2S,4R)-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-[(2S,4R)-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-[(2S,4R)-2-methyl-1-[4-(2-morpholin-4-ylethoxy)benzoyl]-3,4-dihydro-2H-quinolin-4-yl]acetamide is CC(=O)N(c1ccc(Cl)cc1)[C@@H]1C[C@H](C)N(C(=O)c2ccc(OCCN3CCOCC3)cc2)c2ccccc21.

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

The InChIKey is DEQIPTYPRGZPAE-SMSORMJASA-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/t22-,30+/m0/s1.

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

N-(4-chlorophenyl)-N-[(2S,4R)-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-[(2S,4R)-2-methyl-1-[4-(2-morpholin-4-ylethoxy)benzoyl]-3,4-dihydro-2H-quinolin-4-yl]acetamide is sourced from PubChem (CID 10370260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).