N-[7-(diethylamino)-1-[4-(dimethylamino)benzoyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-[4-(diethylamino)phenyl]acetamide

C35H47N5O2 — CID 58859797

About N-[7-(diethylamino)-1-[4-(dimethylamino)benzoyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-[4-(diethylamino)phenyl]acetamide

N-[7-(diethylamino)-1-[4-(dimethylamino)benzoyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-[4-(diethylamino)phenyl]acetamide (PubChem CID 58859797) has the molecular formula C35H47N5O2 and a molecular weight of 569.79 g/mol. Its IUPAC name is N-[7-(diethylamino)-1-[4-(dimethylamino)benzoyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-[4-(diethylamino)phenyl]acetamide.

Molecular Properties

• Compound Name: N-[7-(diethylamino)-1-[4-(dimethylamino)benzoyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-[4-(diethylamino)phenyl]acetamide
• PubChem CID: 58859797
• Molecular Formula: C35H47N5O2
• Molecular Weight: 569.79 g/mol
• Exact Mass: 569.37
• IUPAC Name: N-[7-(diethylamino)-1-[4-(dimethylamino)benzoyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-[4-(diethylamino)phenyl]acetamide
• SMILES: CCN(CC)c1ccc(N(C(C)=O)C2CC(C)N(C(=O)c3ccc(N(C)C)cc3)c3cc(N(CC)CC)ccc32)cc1
• InChI: InChI=1S/C35H47N5O2/c1-9-37(10-2)29-17-19-30(20-18-29)40(26(6)41)33-23-25(5)39(35(42)27-13-15-28(16-14-27)36(7)8)34-24-31(21-22-32(33)34)38(11-3)12-4/h13-22,24-25,33H,9-12,23H2,1-8H3
• InChIKey: VNEMGPKZXVLJAO-UHFFFAOYSA-N
• XLogP: 6.98
• TPSA: 50.34 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	569.79
LogP ≤ 5	6.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[7-(diethylamino)-1-[4-(dimethylamino)benzoyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-[4-(diethylamino)phenyl]acetamide?

The IUPAC name of N-[7-(diethylamino)-1-[4-(dimethylamino)benzoyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-[4-(diethylamino)phenyl]acetamide (CID 58859797) is N-[7-(diethylamino)-1-[4-(dimethylamino)benzoyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-[4-(diethylamino)phenyl]acetamide.

What is the SMILES notation for N-[7-(diethylamino)-1-[4-(dimethylamino)benzoyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-[4-(diethylamino)phenyl]acetamide?

The canonical SMILES for N-[7-(diethylamino)-1-[4-(dimethylamino)benzoyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-[4-(diethylamino)phenyl]acetamide is CCN(CC)c1ccc(N(C(C)=O)C2CC(C)N(C(=O)c3ccc(N(C)C)cc3)c3cc(N(CC)CC)ccc32)cc1.

What is the InChIKey of N-[7-(diethylamino)-1-[4-(dimethylamino)benzoyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-[4-(diethylamino)phenyl]acetamide?

The InChIKey is VNEMGPKZXVLJAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H47N5O2/c1-9-37(10-2)29-17-19-30(20-18-29)40(26(6)41)33-23-25(5)39(35(42)27-13-15-28(16-14-27)36(7)8)34-24-31(21-22-32(33)34)38(11-3)12-4/h13-22,24-25,33H,9-12,23H2,1-8H3.

What are the key properties of N-[7-(diethylamino)-1-[4-(dimethylamino)benzoyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-[4-(diethylamino)phenyl]acetamide?

N-[7-(diethylamino)-1-[4-(dimethylamino)benzoyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-[4-(diethylamino)phenyl]acetamide has a molecular weight of 569.79 g/mol, XLogP of 6.98, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[7-(diethylamino)-1-[4-(dimethylamino)benzoyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-[4-(diethylamino)phenyl]acetamide is sourced from PubChem (CID 58859797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).