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

C26H31FN4O6 — CID 54679128

IUPAC7-[[4-fluoro-2-(2-morpholin-4-ylethoxy)phenyl]methyl]-4-hydroxy-N-(2-methoxyethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide
SMILESCOCCNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3OCCN3CCOCC3)cc2n(C)c1=O
InChIInChI=1S/C26H31FN4O6/c1-30-20-14-17(16-29-23(20)24(32)22(26(30)34)25(33)28-5-9-35-2)13-18-3-4-19(27)15-21(18)37-12-8-31-6-10-36-11-7-31/h3-4,14-16,32H,5-13H2,1-2H3,(H,28,33)
InChIKeyACVVHLBZOXGBRZ-UHFFFAOYSA-N
MW514.55 g/mol
LogP1.46
Rot. Bonds10

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

7-[[4-fluoro-2-(2-morpholin-4-ylethoxy)phenyl]methyl]-4-hydroxy-N-(2-methoxyethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide (PubChem CID 54679128) has the molecular formula C26H31FN4O6 and a molecular weight of 514.55 g/mol. Its IUPAC name is 7-[[4-fluoro-2-(2-morpholin-4-ylethoxy)phenyl]methyl]-4-hydroxy-N-(2-methoxyethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name7-[[4-fluoro-2-(2-morpholin-4-ylethoxy)phenyl]methyl]-4-hydroxy-N-(2-methoxyethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide
PubChem CID54679128
Molecular FormulaC26H31FN4O6
Molecular Weight514.55 g/mol
Exact Mass514.22
IUPAC Name7-[[4-fluoro-2-(2-morpholin-4-ylethoxy)phenyl]methyl]-4-hydroxy-N-(2-methoxyethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide
SMILESCOCCNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3OCCN3CCOCC3)cc2n(C)c1=O
InChIInChI=1S/C26H31FN4O6/c1-30-20-14-17(16-29-23(20)24(32)22(26(30)34)25(33)28-5-9-35-2)13-18-3-4-19(27)15-21(18)37-12-8-31-6-10-36-11-7-31/h3-4,14-16,32H,5-13H2,1-2H3,(H,28,33)
InChIKeyACVVHLBZOXGBRZ-UHFFFAOYSA-N
XLogP1.46
TPSA115.15 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.55
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-[[4-fluoro-2-(2-morpholin-4-ylethoxy)phenyl]methyl]-4-hydroxy-N-(2-methoxyethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide?
The IUPAC name of 7-[[4-fluoro-2-(2-morpholin-4-ylethoxy)phenyl]methyl]-4-hydroxy-N-(2-methoxyethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide (CID 54679128) is 7-[[4-fluoro-2-(2-morpholin-4-ylethoxy)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-(2-morpholin-4-ylethoxy)phenyl]methyl]-4-hydroxy-N-(2-methoxyethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide?
The canonical SMILES for 7-[[4-fluoro-2-(2-morpholin-4-ylethoxy)phenyl]methyl]-4-hydroxy-N-(2-methoxyethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide is COCCNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3OCCN3CCOCC3)cc2n(C)c1=O.
What is the InChIKey of 7-[[4-fluoro-2-(2-morpholin-4-ylethoxy)phenyl]methyl]-4-hydroxy-N-(2-methoxyethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide?
The InChIKey is ACVVHLBZOXGBRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31FN4O6/c1-30-20-14-17(16-29-23(20)24(32)22(26(30)34)25(33)28-5-9-35-2)13-18-3-4-19(27)15-21(18)37-12-8-31-6-10-36-11-7-31/h3-4,14-16,32H,5-13H2,1-2H3,(H,28,33).
What are the key properties of 7-[[4-fluoro-2-(2-morpholin-4-ylethoxy)phenyl]methyl]-4-hydroxy-N-(2-methoxyethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide?
7-[[4-fluoro-2-(2-morpholin-4-ylethoxy)phenyl]methyl]-4-hydroxy-N-(2-methoxyethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide has a molecular weight of 514.55 g/mol, XLogP of 1.46, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[4-fluoro-2-(2-morpholin-4-ylethoxy)phenyl]methyl]-4-hydroxy-N-(2-methoxyethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide is sourced from PubChem (CID 54679128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).