formamido 1-benzyl-5-hydroxy-2-oxo-3-phenyl-1,7-naphthyridine-6-carboxylate

C23H17N3O5 — CID 175297433

IUPACformamido 1-benzyl-5-hydroxy-2-oxo-3-phenyl-1,7-naphthyridine-6-carboxylate
SMILESO=CNOC(=O)c1ncc2c(cc(-c3ccccc3)c(=O)n2Cc2ccccc2)c1O
InChIInChI=1S/C23H17N3O5/c27-14-25-31-23(30)20-21(28)18-11-17(16-9-5-2-6-10-16)22(29)26(19(18)12-24-20)13-15-7-3-1-4-8-15/h1-12,14,28H,13H2,(H,25,27)
InChIKeyXMHRUTXYAQMYKA-UHFFFAOYSA-N
MW415.41 g/mol
LogP2.64
Rot. Bonds6

About formamido 1-benzyl-5-hydroxy-2-oxo-3-phenyl-1,7-naphthyridine-6-carboxylate

formamido 1-benzyl-5-hydroxy-2-oxo-3-phenyl-1,7-naphthyridine-6-carboxylate (PubChem CID 175297433) has the molecular formula C23H17N3O5 and a molecular weight of 415.41 g/mol. Its IUPAC name is formamido 1-benzyl-5-hydroxy-2-oxo-3-phenyl-1,7-naphthyridine-6-carboxylate.

Molecular Properties

Compound Nameformamido 1-benzyl-5-hydroxy-2-oxo-3-phenyl-1,7-naphthyridine-6-carboxylate
PubChem CID175297433
Molecular FormulaC23H17N3O5
Molecular Weight415.41 g/mol
Exact Mass415.12
IUPAC Nameformamido 1-benzyl-5-hydroxy-2-oxo-3-phenyl-1,7-naphthyridine-6-carboxylate
SMILESO=CNOC(=O)c1ncc2c(cc(-c3ccccc3)c(=O)n2Cc2ccccc2)c1O
InChIInChI=1S/C23H17N3O5/c27-14-25-31-23(30)20-21(28)18-11-17(16-9-5-2-6-10-16)22(29)26(19(18)12-24-20)13-15-7-3-1-4-8-15/h1-12,14,28H,13H2,(H,25,27)
InChIKeyXMHRUTXYAQMYKA-UHFFFAOYSA-N
XLogP2.64
TPSA110.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.41
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of formamido 1-benzyl-5-hydroxy-2-oxo-3-phenyl-1,7-naphthyridine-6-carboxylate?
The IUPAC name of formamido 1-benzyl-5-hydroxy-2-oxo-3-phenyl-1,7-naphthyridine-6-carboxylate (CID 175297433) is formamido 1-benzyl-5-hydroxy-2-oxo-3-phenyl-1,7-naphthyridine-6-carboxylate.
What is the SMILES notation for formamido 1-benzyl-5-hydroxy-2-oxo-3-phenyl-1,7-naphthyridine-6-carboxylate?
The canonical SMILES for formamido 1-benzyl-5-hydroxy-2-oxo-3-phenyl-1,7-naphthyridine-6-carboxylate is O=CNOC(=O)c1ncc2c(cc(-c3ccccc3)c(=O)n2Cc2ccccc2)c1O.
What is the InChIKey of formamido 1-benzyl-5-hydroxy-2-oxo-3-phenyl-1,7-naphthyridine-6-carboxylate?
The InChIKey is XMHRUTXYAQMYKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O5/c27-14-25-31-23(30)20-21(28)18-11-17(16-9-5-2-6-10-16)22(29)26(19(18)12-24-20)13-15-7-3-1-4-8-15/h1-12,14,28H,13H2,(H,25,27).
What are the key properties of formamido 1-benzyl-5-hydroxy-2-oxo-3-phenyl-1,7-naphthyridine-6-carboxylate?
formamido 1-benzyl-5-hydroxy-2-oxo-3-phenyl-1,7-naphthyridine-6-carboxylate has a molecular weight of 415.41 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for formamido 1-benzyl-5-hydroxy-2-oxo-3-phenyl-1,7-naphthyridine-6-carboxylate is sourced from PubChem (CID 175297433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).