2-[1-[2-(dimethylamino)ethylamino]ethyl]-3-(4-fluorophenyl)-6-methylquinazolin-4-one;N-[2-(dimethylamino)ethyl]-N-[1-[3-(4-fluorophenyl)-6-methoxy-4-oxoquinazolin-2-yl]ethyl]decanamide;hydrate

C52H70F2N8O5 — CID 160810055

About 2-[1-[2-(dimethylamino)ethylamino]ethyl]-3-(4-fluorophenyl)-6-methylquinazolin-4-one;N-[2-(dimethylamino)ethyl]-N-[1-[3-(4-fluorophenyl)-6-methoxy-4-oxoquinazolin-2-yl]ethyl]decanamide;hydrate

2-[1-[2-(dimethylamino)ethylamino]ethyl]-3-(4-fluorophenyl)-6-methylquinazolin-4-one;N-[2-(dimethylamino)ethyl]-N-[1-[3-(4-fluorophenyl)-6-methoxy-4-oxoquinazolin-2-yl]ethyl]decanamide;hydrate (PubChem CID 160810055) has the molecular formula C52H70F2N8O5 and a molecular weight of 925.18 g/mol. Its IUPAC name is 2-[1-[2-(dimethylamino)ethylamino]ethyl]-3-(4-fluorophenyl)-6-methylquinazolin-4-one;N-[2-(dimethylamino)ethyl]-N-[1-[3-(4-fluorophenyl)-6-methoxy-4-oxoquinazolin-2-yl]ethyl]decanamide;hydrate.

Molecular Properties

• Compound Name: 2-[1-[2-(dimethylamino)ethylamino]ethyl]-3-(4-fluorophenyl)-6-methylquinazolin-4-one;N-[2-(dimethylamino)ethyl]-N-[1-[3-(4-fluorophenyl)-6-methoxy-4-oxoquinazolin-2-yl]ethyl]decanamide;hydrate
• PubChem CID: 160810055
• Molecular Formula: C52H70F2N8O5
• Molecular Weight: 925.18 g/mol
• Exact Mass: 924.54
• IUPAC Name: 2-[1-[2-(dimethylamino)ethylamino]ethyl]-3-(4-fluorophenyl)-6-methylquinazolin-4-one;N-[2-(dimethylamino)ethyl]-N-[1-[3-(4-fluorophenyl)-6-methoxy-4-oxoquinazolin-2-yl]ethyl]decanamide;hydrate
• SMILES: CCCCCCCCCC(=O)N(CCN(C)C)C(C)c1nc2ccc(OC)cc2c(=O)n1-c1ccc(F)cc1.Cc1ccc2nc(C(C)NCCN(C)C)n(-c3ccc(F)cc3)c(=O)c2c1.O
• InChI: InChI=1S/C31H43FN4O3.C21H25FN4O.H2O/c1-6-7-8-9-10-11-12-13-29(37)35(21-20-34(3)4)23(2)30-33-28-19-18-26(39-5)22-27(28)31(38)36(30)25-16-14-24(32)15-17-25;1-14-5-10-19-18(13-14)21(27)26(17-8-6-16(22)7-9-17)20(24-19)15(2)23-11-12-25(3)4;/h14-19,22-23H,6-13,20-21H2,1-5H3;5-10,13,15,23H,11-12H2,1-4H3;1H2
• InChIKey: FYVYMLNRWKCDJV-UHFFFAOYSA-N
• XLogP: 8.35
• TPSA: 149.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 21
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	925.18
LogP ≤ 5	8.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(dimethylamino)ethylamino]ethyl]-3-(4-fluorophenyl)-6-methylquinazolin-4-one;N-[2-(dimethylamino)ethyl]-N-[1-[3-(4-fluorophenyl)-6-methoxy-4-oxoquinazolin-2-yl]ethyl]decanamide;hydrate?

The IUPAC name of 2-[1-[2-(dimethylamino)ethylamino]ethyl]-3-(4-fluorophenyl)-6-methylquinazolin-4-one;N-[2-(dimethylamino)ethyl]-N-[1-[3-(4-fluorophenyl)-6-methoxy-4-oxoquinazolin-2-yl]ethyl]decanamide;hydrate (CID 160810055) is 2-[1-[2-(dimethylamino)ethylamino]ethyl]-3-(4-fluorophenyl)-6-methylquinazolin-4-one;N-[2-(dimethylamino)ethyl]-N-[1-[3-(4-fluorophenyl)-6-methoxy-4-oxoquinazolin-2-yl]ethyl]decanamide;hydrate.

What is the SMILES notation for 2-[1-[2-(dimethylamino)ethylamino]ethyl]-3-(4-fluorophenyl)-6-methylquinazolin-4-one;N-[2-(dimethylamino)ethyl]-N-[1-[3-(4-fluorophenyl)-6-methoxy-4-oxoquinazolin-2-yl]ethyl]decanamide;hydrate?

The canonical SMILES for 2-[1-[2-(dimethylamino)ethylamino]ethyl]-3-(4-fluorophenyl)-6-methylquinazolin-4-one;N-[2-(dimethylamino)ethyl]-N-[1-[3-(4-fluorophenyl)-6-methoxy-4-oxoquinazolin-2-yl]ethyl]decanamide;hydrate is CCCCCCCCCC(=O)N(CCN(C)C)C(C)c1nc2ccc(OC)cc2c(=O)n1-c1ccc(F)cc1.Cc1ccc2nc(C(C)NCCN(C)C)n(-c3ccc(F)cc3)c(=O)c2c1.O.

What is the InChIKey of 2-[1-[2-(dimethylamino)ethylamino]ethyl]-3-(4-fluorophenyl)-6-methylquinazolin-4-one;N-[2-(dimethylamino)ethyl]-N-[1-[3-(4-fluorophenyl)-6-methoxy-4-oxoquinazolin-2-yl]ethyl]decanamide;hydrate?

The InChIKey is FYVYMLNRWKCDJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H43FN4O3.C21H25FN4O.H2O/c1-6-7-8-9-10-11-12-13-29(37)35(21-20-34(3)4)23(2)30-33-28-19-18-26(39-5)22-27(28)31(38)36(30)25-16-14-24(32)15-17-25;1-14-5-10-19-18(13-14)21(27)26(17-8-6-16(22)7-9-17)20(24-19)15(2)23-11-12-25(3)4;/h14-19,22-23H,6-13,20-21H2,1-5H3;5-10,13,15,23H,11-12H2,1-4H3;1H2.

What are the key properties of 2-[1-[2-(dimethylamino)ethylamino]ethyl]-3-(4-fluorophenyl)-6-methylquinazolin-4-one;N-[2-(dimethylamino)ethyl]-N-[1-[3-(4-fluorophenyl)-6-methoxy-4-oxoquinazolin-2-yl]ethyl]decanamide;hydrate?

2-[1-[2-(dimethylamino)ethylamino]ethyl]-3-(4-fluorophenyl)-6-methylquinazolin-4-one;N-[2-(dimethylamino)ethyl]-N-[1-[3-(4-fluorophenyl)-6-methoxy-4-oxoquinazolin-2-yl]ethyl]decanamide;hydrate has a molecular weight of 925.18 g/mol, XLogP of 8.35, 21 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[2-(dimethylamino)ethylamino]ethyl]-3-(4-fluorophenyl)-6-methylquinazolin-4-one;N-[2-(dimethylamino)ethyl]-N-[1-[3-(4-fluorophenyl)-6-methoxy-4-oxoquinazolin-2-yl]ethyl]decanamide;hydrate is sourced from PubChem (CID 160810055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).