N-[2-(dimethylamino)ethyl]-N-[1-[3-(4-fluorophenyl)-6,7,8-trimethyl-4-oxoquinazolin-2-yl]ethyl]decanamide

C33H47FN4O2 — CID 23593652

About N-[2-(dimethylamino)ethyl]-N-[1-[3-(4-fluorophenyl)-6,7,8-trimethyl-4-oxoquinazolin-2-yl]ethyl]decanamide

N-[2-(dimethylamino)ethyl]-N-[1-[3-(4-fluorophenyl)-6,7,8-trimethyl-4-oxoquinazolin-2-yl]ethyl]decanamide (PubChem CID 23593652) has the molecular formula C33H47FN4O2 and a molecular weight of 550.76 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N-[1-[3-(4-fluorophenyl)-6,7,8-trimethyl-4-oxoquinazolin-2-yl]ethyl]decanamide.

Molecular Properties

• Compound Name: N-[2-(dimethylamino)ethyl]-N-[1-[3-(4-fluorophenyl)-6,7,8-trimethyl-4-oxoquinazolin-2-yl]ethyl]decanamide
• PubChem CID: 23593652
• Molecular Formula: C33H47FN4O2
• Molecular Weight: 550.76 g/mol
• Exact Mass: 550.37
• IUPAC Name: N-[2-(dimethylamino)ethyl]-N-[1-[3-(4-fluorophenyl)-6,7,8-trimethyl-4-oxoquinazolin-2-yl]ethyl]decanamide
• SMILES: CCCCCCCCCC(=O)N(CCN(C)C)C(C)c1nc2c(C)c(C)c(C)cc2c(=O)n1-c1ccc(F)cc1
• InChI: InChI=1S/C33H47FN4O2/c1-8-9-10-11-12-13-14-15-30(39)37(21-20-36(6)7)26(5)32-35-31-25(4)24(3)23(2)22-29(31)33(40)38(32)28-18-16-27(34)17-19-28/h16-19,22,26H,8-15,20-21H2,1-7H3
• InChIKey: VZXUDQNBLUREBZ-UHFFFAOYSA-N
• XLogP: 7.04
• TPSA: 58.44 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 14
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	550.76
LogP ≤ 5	7.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N-[1-[3-(4-fluorophenyl)-6,7,8-trimethyl-4-oxoquinazolin-2-yl]ethyl]decanamide?

The IUPAC name of N-[2-(dimethylamino)ethyl]-N-[1-[3-(4-fluorophenyl)-6,7,8-trimethyl-4-oxoquinazolin-2-yl]ethyl]decanamide (CID 23593652) is N-[2-(dimethylamino)ethyl]-N-[1-[3-(4-fluorophenyl)-6,7,8-trimethyl-4-oxoquinazolin-2-yl]ethyl]decanamide.

What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N-[1-[3-(4-fluorophenyl)-6,7,8-trimethyl-4-oxoquinazolin-2-yl]ethyl]decanamide?

The canonical SMILES for N-[2-(dimethylamino)ethyl]-N-[1-[3-(4-fluorophenyl)-6,7,8-trimethyl-4-oxoquinazolin-2-yl]ethyl]decanamide is CCCCCCCCCC(=O)N(CCN(C)C)C(C)c1nc2c(C)c(C)c(C)cc2c(=O)n1-c1ccc(F)cc1.

What is the InChIKey of N-[2-(dimethylamino)ethyl]-N-[1-[3-(4-fluorophenyl)-6,7,8-trimethyl-4-oxoquinazolin-2-yl]ethyl]decanamide?

The InChIKey is VZXUDQNBLUREBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H47FN4O2/c1-8-9-10-11-12-13-14-15-30(39)37(21-20-36(6)7)26(5)32-35-31-25(4)24(3)23(2)22-29(31)33(40)38(32)28-18-16-27(34)17-19-28/h16-19,22,26H,8-15,20-21H2,1-7H3.

What are the key properties of N-[2-(dimethylamino)ethyl]-N-[1-[3-(4-fluorophenyl)-6,7,8-trimethyl-4-oxoquinazolin-2-yl]ethyl]decanamide?

N-[2-(dimethylamino)ethyl]-N-[1-[3-(4-fluorophenyl)-6,7,8-trimethyl-4-oxoquinazolin-2-yl]ethyl]decanamide has a molecular weight of 550.76 g/mol, XLogP of 7.04, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(dimethylamino)ethyl]-N-[1-[3-(4-fluorophenyl)-6,7,8-trimethyl-4-oxoquinazolin-2-yl]ethyl]decanamide is sourced from PubChem (CID 23593652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).