7-[[4-fluoro-2-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-4-hydroxy-N-(2-methoxyethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide

C26H30FN5O5 — CID 54679158

About 7-[[4-fluoro-2-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-4-hydroxy-N-(2-methoxyethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide

7-[[4-fluoro-2-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-4-hydroxy-N-(2-methoxyethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide (PubChem CID 54679158) has the molecular formula C26H30FN5O5 and a molecular weight of 511.55 g/mol. Its IUPAC name is 7-[[4-fluoro-2-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-4-hydroxy-N-(2-methoxyethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide.

Molecular Properties

• Compound Name: 7-[[4-fluoro-2-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-4-hydroxy-N-(2-methoxyethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide
• PubChem CID: 54679158
• Molecular Formula: C26H30FN5O5
• Molecular Weight: 511.55 g/mol
• Exact Mass: 511.22
• IUPAC Name: 7-[[4-fluoro-2-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-4-hydroxy-N-(2-methoxyethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide
• SMILES: COCCNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3C(=O)N3CCN(C)CC3)cc2n(C)c1=O
• InChI: InChI=1S/C26H30FN5O5/c1-30-7-9-32(10-8-30)25(35)19-14-18(27)5-4-17(19)12-16-13-20-22(29-15-16)23(33)21(26(36)31(20)2)24(34)28-6-11-37-3/h4-5,13-15,33H,6-12H2,1-3H3,(H,28,34)
• InChIKey: KIWVQTHCYIFNCI-UHFFFAOYSA-N
• XLogP: 1.13
• TPSA: 117.00 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	511.55
LogP ≤ 5	1.13
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-[[4-fluoro-2-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-4-hydroxy-N-(2-methoxyethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide?

The IUPAC name of 7-[[4-fluoro-2-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-4-hydroxy-N-(2-methoxyethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide (CID 54679158) is 7-[[4-fluoro-2-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-4-hydroxy-N-(2-methoxyethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide.

What is the SMILES notation for 7-[[4-fluoro-2-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-4-hydroxy-N-(2-methoxyethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide?

The canonical SMILES for 7-[[4-fluoro-2-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-4-hydroxy-N-(2-methoxyethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide is COCCNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3C(=O)N3CCN(C)CC3)cc2n(C)c1=O.

What is the InChIKey of 7-[[4-fluoro-2-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-4-hydroxy-N-(2-methoxyethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide?

The InChIKey is KIWVQTHCYIFNCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN5O5/c1-30-7-9-32(10-8-30)25(35)19-14-18(27)5-4-17(19)12-16-13-20-22(29-15-16)23(33)21(26(36)31(20)2)24(34)28-6-11-37-3/h4-5,13-15,33H,6-12H2,1-3H3,(H,28,34).

What are the key properties of 7-[[4-fluoro-2-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-4-hydroxy-N-(2-methoxyethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide?

7-[[4-fluoro-2-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-4-hydroxy-N-(2-methoxyethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide has a molecular weight of 511.55 g/mol, XLogP of 1.13, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[[4-fluoro-2-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-4-hydroxy-N-(2-methoxyethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide is sourced from PubChem (CID 54679158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).