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

C25H29FN4O5 — CID 54679083

IUPAC7-[[4-fluoro-2-(morpholin-4-ylmethyl)phenyl]methyl]-4-hydroxy-N-(2-methoxyethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide
SMILESCOCCNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3CN3CCOCC3)cc2n(C)c1=O
InChIInChI=1S/C25H29FN4O5/c1-29-20-12-16(11-17-3-4-19(26)13-18(17)15-30-6-9-35-10-7-30)14-28-22(20)23(31)21(25(29)33)24(32)27-5-8-34-2/h3-4,12-14,31H,5-11,15H2,1-2H3,(H,27,32)
InChIKeyZTRZQDAEIAHWPT-UHFFFAOYSA-N
MW484.53 g/mol
LogP1.58
Rot. Bonds8

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

7-[[4-fluoro-2-(morpholin-4-ylmethyl)phenyl]methyl]-4-hydroxy-N-(2-methoxyethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide (PubChem CID 54679083) has the molecular formula C25H29FN4O5 and a molecular weight of 484.53 g/mol. Its IUPAC name is 7-[[4-fluoro-2-(morpholin-4-ylmethyl)phenyl]methyl]-4-hydroxy-N-(2-methoxyethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name7-[[4-fluoro-2-(morpholin-4-ylmethyl)phenyl]methyl]-4-hydroxy-N-(2-methoxyethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide
PubChem CID54679083
Molecular FormulaC25H29FN4O5
Molecular Weight484.53 g/mol
Exact Mass484.21
IUPAC Name7-[[4-fluoro-2-(morpholin-4-ylmethyl)phenyl]methyl]-4-hydroxy-N-(2-methoxyethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide
SMILESCOCCNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3CN3CCOCC3)cc2n(C)c1=O
InChIInChI=1S/C25H29FN4O5/c1-29-20-12-16(11-17-3-4-19(26)13-18(17)15-30-6-9-35-10-7-30)14-28-22(20)23(31)21(25(29)33)24(32)27-5-8-34-2/h3-4,12-14,31H,5-11,15H2,1-2H3,(H,27,32)
InChIKeyZTRZQDAEIAHWPT-UHFFFAOYSA-N
XLogP1.58
TPSA105.92 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.53
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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-(morpholin-4-ylmethyl)phenyl]methyl]-4-hydroxy-N-(2-methoxyethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide?
The IUPAC name of 7-[[4-fluoro-2-(morpholin-4-ylmethyl)phenyl]methyl]-4-hydroxy-N-(2-methoxyethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide (CID 54679083) is 7-[[4-fluoro-2-(morpholin-4-ylmethyl)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-(morpholin-4-ylmethyl)phenyl]methyl]-4-hydroxy-N-(2-methoxyethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide?
The canonical SMILES for 7-[[4-fluoro-2-(morpholin-4-ylmethyl)phenyl]methyl]-4-hydroxy-N-(2-methoxyethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide is COCCNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3CN3CCOCC3)cc2n(C)c1=O.
What is the InChIKey of 7-[[4-fluoro-2-(morpholin-4-ylmethyl)phenyl]methyl]-4-hydroxy-N-(2-methoxyethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide?
The InChIKey is ZTRZQDAEIAHWPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN4O5/c1-29-20-12-16(11-17-3-4-19(26)13-18(17)15-30-6-9-35-10-7-30)14-28-22(20)23(31)21(25(29)33)24(32)27-5-8-34-2/h3-4,12-14,31H,5-11,15H2,1-2H3,(H,27,32).
What are the key properties of 7-[[4-fluoro-2-(morpholin-4-ylmethyl)phenyl]methyl]-4-hydroxy-N-(2-methoxyethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide?
7-[[4-fluoro-2-(morpholin-4-ylmethyl)phenyl]methyl]-4-hydroxy-N-(2-methoxyethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide has a molecular weight of 484.53 g/mol, XLogP of 1.58, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[4-fluoro-2-(morpholin-4-ylmethyl)phenyl]methyl]-4-hydroxy-N-(2-methoxyethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide is sourced from PubChem (CID 54679083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).