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

C32H30FN5O6 — CID 69482804

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

1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-morpholin-4-ylethyl)-2-oxo-1,5-naphthyridine-3-carboxamide (PubChem CID 69482804) has the molecular formula C32H30FN5O6 and a molecular weight of 599.62 g/mol. Its IUPAC name is 1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-morpholin-4-ylethyl)-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-(2-morpholin-4-ylethyl)-2-oxo-1,5-naphthyridine-3-carboxamide
• PubChem CID: 69482804
• Molecular Formula: C32H30FN5O6
• Molecular Weight: 599.62 g/mol
• Exact Mass: 599.22
• IUPAC Name: 1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-morpholin-4-ylethyl)-2-oxo-1,5-naphthyridine-3-carboxamide
• SMILES: O=C(NCCN1CCOCC1)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CCN2C(=O)c3ccccc3C2=O)c1=O
• InChI: InChI=1S/C32H30FN5O6/c33-22-7-5-20(6-8-22)17-21-18-25-27(35-19-21)28(39)26(29(40)34-9-10-36-13-15-44-16-14-36)32(43)37(25)11-12-38-30(41)23-3-1-2-4-24(23)31(38)42/h1-8,18-19,39H,9-17H2,(H,34,40)
• InChIKey: ZUMQUOVFMOBUFM-UHFFFAOYSA-N
• XLogP: 2.19
• TPSA: 134.07 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	599.62
LogP ≤ 5	2.19
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'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-(2-morpholin-4-ylethyl)-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-(2-morpholin-4-ylethyl)-2-oxo-1,5-naphthyridine-3-carboxamide (CID 69482804) is 1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-morpholin-4-ylethyl)-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-(2-morpholin-4-ylethyl)-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-(2-morpholin-4-ylethyl)-2-oxo-1,5-naphthyridine-3-carboxamide is O=C(NCCN1CCOCC1)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-(2-morpholin-4-ylethyl)-2-oxo-1,5-naphthyridine-3-carboxamide?

The InChIKey is ZUMQUOVFMOBUFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30FN5O6/c33-22-7-5-20(6-8-22)17-21-18-25-27(35-19-21)28(39)26(29(40)34-9-10-36-13-15-44-16-14-36)32(43)37(25)11-12-38-30(41)23-3-1-2-4-24(23)31(38)42/h1-8,18-19,39H,9-17H2,(H,34,40).

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

1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-morpholin-4-ylethyl)-2-oxo-1,5-naphthyridine-3-carboxamide has a molecular weight of 599.62 g/mol, XLogP of 2.19, 9 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-(2-morpholin-4-ylethyl)-2-oxo-1,5-naphthyridine-3-carboxamide is sourced from PubChem (CID 69482804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).