1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(3-morpholin-4-ylpropyl)-2-oxo-1,5-naphthyridine-3-carboxamide

C33H32FN5O6 — CID 69482713

About 1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(3-morpholin-4-ylpropyl)-2-oxo-1,5-naphthyridine-3-carboxamide

1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(3-morpholin-4-ylpropyl)-2-oxo-1,5-naphthyridine-3-carboxamide (PubChem CID 69482713) has the molecular formula C33H32FN5O6 and a molecular weight of 613.65 g/mol. Its IUPAC name is 1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(3-morpholin-4-ylpropyl)-2-oxo-1,5-naphthyridine-3-carboxamide.

Molecular Properties

• Compound Name: 1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(3-morpholin-4-ylpropyl)-2-oxo-1,5-naphthyridine-3-carboxamide
• PubChem CID: 69482713
• Molecular Formula: C33H32FN5O6
• Molecular Weight: 613.65 g/mol
• Exact Mass: 613.23
• IUPAC Name: 1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(3-morpholin-4-ylpropyl)-2-oxo-1,5-naphthyridine-3-carboxamide
• SMILES: O=C(NCCCN1CCOCC1)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CCN2C(=O)c3ccccc3C2=O)c1=O
• InChI: InChI=1S/C33H32FN5O6/c34-23-8-6-21(7-9-23)18-22-19-26-28(36-20-22)29(40)27(30(41)35-10-3-11-37-14-16-45-17-15-37)33(44)38(26)12-13-39-31(42)24-4-1-2-5-25(24)32(39)43/h1-2,4-9,19-20,40H,3,10-18H2,(H,35,41)
• InChIKey: NOFOIUORYGEQEB-UHFFFAOYSA-N
• XLogP: 2.58
• TPSA: 134.07 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	613.65
LogP ≤ 5	2.58
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(3-morpholin-4-ylpropyl)-2-oxo-1,5-naphthyridine-3-carboxamide?

The IUPAC name of 1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(3-morpholin-4-ylpropyl)-2-oxo-1,5-naphthyridine-3-carboxamide (CID 69482713) is 1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(3-morpholin-4-ylpropyl)-2-oxo-1,5-naphthyridine-3-carboxamide.

What is the SMILES notation for 1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(3-morpholin-4-ylpropyl)-2-oxo-1,5-naphthyridine-3-carboxamide?

The canonical SMILES for 1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(3-morpholin-4-ylpropyl)-2-oxo-1,5-naphthyridine-3-carboxamide is O=C(NCCCN1CCOCC1)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CCN2C(=O)c3ccccc3C2=O)c1=O.

What is the InChIKey of 1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(3-morpholin-4-ylpropyl)-2-oxo-1,5-naphthyridine-3-carboxamide?

The InChIKey is NOFOIUORYGEQEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32FN5O6/c34-23-8-6-21(7-9-23)18-22-19-26-28(36-20-22)29(40)27(30(41)35-10-3-11-37-14-16-45-17-15-37)33(44)38(26)12-13-39-31(42)24-4-1-2-5-25(24)32(39)43/h1-2,4-9,19-20,40H,3,10-18H2,(H,35,41).

What are the key properties of 1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(3-morpholin-4-ylpropyl)-2-oxo-1,5-naphthyridine-3-carboxamide?

1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(3-morpholin-4-ylpropyl)-2-oxo-1,5-naphthyridine-3-carboxamide has a molecular weight of 613.65 g/mol, XLogP of 2.58, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(3-morpholin-4-ylpropyl)-2-oxo-1,5-naphthyridine-3-carboxamide is sourced from PubChem (CID 69482713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).