6-[(4-fluorophenyl)methyl]-10-hydroxy-N-(2-morpholin-4-ylethyl)-12-oxo-4-oxa-1,8-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraene-11-carboxamide

C24H25FN4O5 — CID 54748842

About 6-[(4-fluorophenyl)methyl]-10-hydroxy-N-(2-morpholin-4-ylethyl)-12-oxo-4-oxa-1,8-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraene-11-carboxamide

6-[(4-fluorophenyl)methyl]-10-hydroxy-N-(2-morpholin-4-ylethyl)-12-oxo-4-oxa-1,8-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraene-11-carboxamide (PubChem CID 54748842) has the molecular formula C24H25FN4O5 and a molecular weight of 468.49 g/mol. Its IUPAC name is 6-[(4-fluorophenyl)methyl]-10-hydroxy-N-(2-morpholin-4-ylethyl)-12-oxo-4-oxa-1,8-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraene-11-carboxamide.

Molecular Properties

• Compound Name: 6-[(4-fluorophenyl)methyl]-10-hydroxy-N-(2-morpholin-4-ylethyl)-12-oxo-4-oxa-1,8-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraene-11-carboxamide
• PubChem CID: 54748842
• Molecular Formula: C24H25FN4O5
• Molecular Weight: 468.49 g/mol
• Exact Mass: 468.18
• IUPAC Name: 6-[(4-fluorophenyl)methyl]-10-hydroxy-N-(2-morpholin-4-ylethyl)-12-oxo-4-oxa-1,8-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraene-11-carboxamide
• SMILES: O=C(NCCN1CCOCC1)c1c(O)c2ncc(Cc3ccc(F)cc3)c3c2n(c1=O)CCO3
• InChI: InChI=1S/C24H25FN4O5/c25-17-3-1-15(2-4-17)13-16-14-27-19-20-22(16)34-12-9-29(20)24(32)18(21(19)30)23(31)26-5-6-28-7-10-33-11-8-28/h1-4,14,30H,5-13H2,(H,26,31)
• InChIKey: TXJWZSFIPFUECB-UHFFFAOYSA-N
• XLogP: 1.29
• TPSA: 105.92 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	468.49
LogP ≤ 5	1.29
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-[(4-fluorophenyl)methyl]-10-hydroxy-N-(2-morpholin-4-ylethyl)-12-oxo-4-oxa-1,8-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraene-11-carboxamide?

The IUPAC name of 6-[(4-fluorophenyl)methyl]-10-hydroxy-N-(2-morpholin-4-ylethyl)-12-oxo-4-oxa-1,8-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraene-11-carboxamide (CID 54748842) is 6-[(4-fluorophenyl)methyl]-10-hydroxy-N-(2-morpholin-4-ylethyl)-12-oxo-4-oxa-1,8-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraene-11-carboxamide.

What is the SMILES notation for 6-[(4-fluorophenyl)methyl]-10-hydroxy-N-(2-morpholin-4-ylethyl)-12-oxo-4-oxa-1,8-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraene-11-carboxamide?

The canonical SMILES for 6-[(4-fluorophenyl)methyl]-10-hydroxy-N-(2-morpholin-4-ylethyl)-12-oxo-4-oxa-1,8-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraene-11-carboxamide is O=C(NCCN1CCOCC1)c1c(O)c2ncc(Cc3ccc(F)cc3)c3c2n(c1=O)CCO3.

What is the InChIKey of 6-[(4-fluorophenyl)methyl]-10-hydroxy-N-(2-morpholin-4-ylethyl)-12-oxo-4-oxa-1,8-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraene-11-carboxamide?

The InChIKey is TXJWZSFIPFUECB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O5/c25-17-3-1-15(2-4-17)13-16-14-27-19-20-22(16)34-12-9-29(20)24(32)18(21(19)30)23(31)26-5-6-28-7-10-33-11-8-28/h1-4,14,30H,5-13H2,(H,26,31).

What are the key properties of 6-[(4-fluorophenyl)methyl]-10-hydroxy-N-(2-morpholin-4-ylethyl)-12-oxo-4-oxa-1,8-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraene-11-carboxamide?

6-[(4-fluorophenyl)methyl]-10-hydroxy-N-(2-morpholin-4-ylethyl)-12-oxo-4-oxa-1,8-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraene-11-carboxamide has a molecular weight of 468.49 g/mol, XLogP of 1.29, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(4-fluorophenyl)methyl]-10-hydroxy-N-(2-morpholin-4-ylethyl)-12-oxo-4-oxa-1,8-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraene-11-carboxamide is sourced from PubChem (CID 54748842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).