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

C25H27FN4O6 — CID 54679160

IUPAC7-[[4-fluoro-2-(morpholine-4-carbonyl)phenyl]methyl]-4-hydroxy-N-(2-methoxyethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide
SMILESCOCCNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3C(=O)N3CCOCC3)cc2n(C)c1=O
InChIInChI=1S/C25H27FN4O6/c1-29-19-12-15(14-28-21(19)22(31)20(25(29)34)23(32)27-5-8-35-2)11-16-3-4-17(26)13-18(16)24(33)30-6-9-36-10-7-30/h3-4,12-14,31H,5-11H2,1-2H3,(H,27,32)
InChIKeyYDYNOQZVHNGIMU-UHFFFAOYSA-N
MW498.51 g/mol
LogP1.22
Rot. Bonds7

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

7-[[4-fluoro-2-(morpholine-4-carbonyl)phenyl]methyl]-4-hydroxy-N-(2-methoxyethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide (PubChem CID 54679160) has the molecular formula C25H27FN4O6 and a molecular weight of 498.51 g/mol. Its IUPAC name is 7-[[4-fluoro-2-(morpholine-4-carbonyl)phenyl]methyl]-4-hydroxy-N-(2-methoxyethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name7-[[4-fluoro-2-(morpholine-4-carbonyl)phenyl]methyl]-4-hydroxy-N-(2-methoxyethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide
PubChem CID54679160
Molecular FormulaC25H27FN4O6
Molecular Weight498.51 g/mol
Exact Mass498.19
IUPAC Name7-[[4-fluoro-2-(morpholine-4-carbonyl)phenyl]methyl]-4-hydroxy-N-(2-methoxyethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide
SMILESCOCCNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3C(=O)N3CCOCC3)cc2n(C)c1=O
InChIInChI=1S/C25H27FN4O6/c1-29-19-12-15(14-28-21(19)22(31)20(25(29)34)23(32)27-5-8-35-2)11-16-3-4-17(26)13-18(16)24(33)30-6-9-36-10-7-30/h3-4,12-14,31H,5-11H2,1-2H3,(H,27,32)
InChIKeyYDYNOQZVHNGIMU-UHFFFAOYSA-N
XLogP1.22
TPSA122.99 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.51
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-[[4-fluoro-2-(morpholine-4-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-(morpholine-4-carbonyl)phenyl]methyl]-4-hydroxy-N-(2-methoxyethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide (CID 54679160) is 7-[[4-fluoro-2-(morpholine-4-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-(morpholine-4-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-(morpholine-4-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)N3CCOCC3)cc2n(C)c1=O.
What is the InChIKey of 7-[[4-fluoro-2-(morpholine-4-carbonyl)phenyl]methyl]-4-hydroxy-N-(2-methoxyethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide?
The InChIKey is YDYNOQZVHNGIMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN4O6/c1-29-19-12-15(14-28-21(19)22(31)20(25(29)34)23(32)27-5-8-35-2)11-16-3-4-17(26)13-18(16)24(33)30-6-9-36-10-7-30/h3-4,12-14,31H,5-11H2,1-2H3,(H,27,32).
What are the key properties of 7-[[4-fluoro-2-(morpholine-4-carbonyl)phenyl]methyl]-4-hydroxy-N-(2-methoxyethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide?
7-[[4-fluoro-2-(morpholine-4-carbonyl)phenyl]methyl]-4-hydroxy-N-(2-methoxyethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide has a molecular weight of 498.51 g/mol, XLogP of 1.22, 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-(morpholine-4-carbonyl)phenyl]methyl]-4-hydroxy-N-(2-methoxyethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide is sourced from PubChem (CID 54679160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).