3-benzyl-1,4-dihydroxy-6-phenyl-1,8-naphthyridin-2-one

C21H16N2O3 — CID 54735024

IUPAC3-benzyl-1,4-dihydroxy-6-phenyl-1,8-naphthyridin-2-one
SMILESO=c1c(Cc2ccccc2)c(O)c2cc(-c3ccccc3)cnc2n1O
InChIInChI=1S/C21H16N2O3/c24-19-17-12-16(15-9-5-2-6-10-15)13-22-20(17)23(26)21(25)18(19)11-14-7-3-1-4-8-14/h1-10,12-13,24,26H,11H2
InChIKeyVZTXXLWWDQHFNB-UHFFFAOYSA-N
MW344.37 g/mol
LogP3.60
Rot. Bonds3

About 3-benzyl-1,4-dihydroxy-6-phenyl-1,8-naphthyridin-2-one

3-benzyl-1,4-dihydroxy-6-phenyl-1,8-naphthyridin-2-one (PubChem CID 54735024) has the molecular formula C21H16N2O3 and a molecular weight of 344.37 g/mol. Its IUPAC name is 3-benzyl-1,4-dihydroxy-6-phenyl-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name3-benzyl-1,4-dihydroxy-6-phenyl-1,8-naphthyridin-2-one
PubChem CID54735024
Molecular FormulaC21H16N2O3
Molecular Weight344.37 g/mol
Exact Mass344.12
IUPAC Name3-benzyl-1,4-dihydroxy-6-phenyl-1,8-naphthyridin-2-one
SMILESO=c1c(Cc2ccccc2)c(O)c2cc(-c3ccccc3)cnc2n1O
InChIInChI=1S/C21H16N2O3/c24-19-17-12-16(15-9-5-2-6-10-15)13-22-20(17)23(26)21(25)18(19)11-14-7-3-1-4-8-14/h1-10,12-13,24,26H,11H2
InChIKeyVZTXXLWWDQHFNB-UHFFFAOYSA-N
XLogP3.60
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1,4-dihydroxy-6-phenyl-1,8-naphthyridin-2-one?
The IUPAC name of 3-benzyl-1,4-dihydroxy-6-phenyl-1,8-naphthyridin-2-one (CID 54735024) is 3-benzyl-1,4-dihydroxy-6-phenyl-1,8-naphthyridin-2-one.
What is the SMILES notation for 3-benzyl-1,4-dihydroxy-6-phenyl-1,8-naphthyridin-2-one?
The canonical SMILES for 3-benzyl-1,4-dihydroxy-6-phenyl-1,8-naphthyridin-2-one is O=c1c(Cc2ccccc2)c(O)c2cc(-c3ccccc3)cnc2n1O.
What is the InChIKey of 3-benzyl-1,4-dihydroxy-6-phenyl-1,8-naphthyridin-2-one?
The InChIKey is VZTXXLWWDQHFNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O3/c24-19-17-12-16(15-9-5-2-6-10-15)13-22-20(17)23(26)21(25)18(19)11-14-7-3-1-4-8-14/h1-10,12-13,24,26H,11H2.
What are the key properties of 3-benzyl-1,4-dihydroxy-6-phenyl-1,8-naphthyridin-2-one?
3-benzyl-1,4-dihydroxy-6-phenyl-1,8-naphthyridin-2-one has a molecular weight of 344.37 g/mol, XLogP of 3.60, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1,4-dihydroxy-6-phenyl-1,8-naphthyridin-2-one is sourced from PubChem (CID 54735024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).