7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(3-morpholin-4-ylpropyl)-2-oxo-1H-1,5-naphthyridine-3-carboxamide

C23H25FN4O4 — CID 54697548

IUPAC7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(3-morpholin-4-ylpropyl)-2-oxo-1H-1,5-naphthyridine-3-carboxamide
SMILESO=C(NCCCN1CCOCC1)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2[nH]c1=O
InChIInChI=1S/C23H25FN4O4/c24-17-4-2-15(3-5-17)12-16-13-18-20(26-14-16)21(29)19(23(31)27-18)22(30)25-6-1-7-28-8-10-32-11-9-28/h2-5,13-14H,1,6-12H2,(H,25,30)(H2,27,29,31)
InChIKeyBHXFBFQYRNSRAO-UHFFFAOYSA-N
MW440.48 g/mol
LogP1.81
Rot. Bonds7

About 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(3-morpholin-4-ylpropyl)-2-oxo-1H-1,5-naphthyridine-3-carboxamide

7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(3-morpholin-4-ylpropyl)-2-oxo-1H-1,5-naphthyridine-3-carboxamide (PubChem CID 54697548) has the molecular formula C23H25FN4O4 and a molecular weight of 440.48 g/mol. Its IUPAC name is 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(3-morpholin-4-ylpropyl)-2-oxo-1H-1,5-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(3-morpholin-4-ylpropyl)-2-oxo-1H-1,5-naphthyridine-3-carboxamide
PubChem CID54697548
Molecular FormulaC23H25FN4O4
Molecular Weight440.48 g/mol
Exact Mass440.19
IUPAC Name7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(3-morpholin-4-ylpropyl)-2-oxo-1H-1,5-naphthyridine-3-carboxamide
SMILESO=C(NCCCN1CCOCC1)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2[nH]c1=O
InChIInChI=1S/C23H25FN4O4/c24-17-4-2-15(3-5-17)12-16-13-18-20(26-14-16)21(29)19(23(31)27-18)22(30)25-6-1-7-28-8-10-32-11-9-28/h2-5,13-14H,1,6-12H2,(H,25,30)(H2,27,29,31)
InChIKeyBHXFBFQYRNSRAO-UHFFFAOYSA-N
XLogP1.81
TPSA107.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.48
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(3-morpholin-4-ylpropyl)-2-oxo-1H-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-fluorophenyl)methyl]-4-hydroxy-N-(3-morpholin-4-ylpropyl)-2-oxo-1H-1,5-naphthyridine-3-carboxamide?
The IUPAC name of 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(3-morpholin-4-ylpropyl)-2-oxo-1H-1,5-naphthyridine-3-carboxamide (CID 54697548) is 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(3-morpholin-4-ylpropyl)-2-oxo-1H-1,5-naphthyridine-3-carboxamide.
What is the SMILES notation for 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(3-morpholin-4-ylpropyl)-2-oxo-1H-1,5-naphthyridine-3-carboxamide?
The canonical SMILES for 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(3-morpholin-4-ylpropyl)-2-oxo-1H-1,5-naphthyridine-3-carboxamide is O=C(NCCCN1CCOCC1)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2[nH]c1=O.
What is the InChIKey of 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(3-morpholin-4-ylpropyl)-2-oxo-1H-1,5-naphthyridine-3-carboxamide?
The InChIKey is BHXFBFQYRNSRAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O4/c24-17-4-2-15(3-5-17)12-16-13-18-20(26-14-16)21(29)19(23(31)27-18)22(30)25-6-1-7-28-8-10-32-11-9-28/h2-5,13-14H,1,6-12H2,(H,25,30)(H2,27,29,31).
What are the key properties of 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(3-morpholin-4-ylpropyl)-2-oxo-1H-1,5-naphthyridine-3-carboxamide?
7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(3-morpholin-4-ylpropyl)-2-oxo-1H-1,5-naphthyridine-3-carboxamide has a molecular weight of 440.48 g/mol, XLogP of 1.81, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(3-morpholin-4-ylpropyl)-2-oxo-1H-1,5-naphthyridine-3-carboxamide is sourced from PubChem (CID 54697548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).