4-benzyl-5-oxo-6H-1,6-naphthyridine-3-carboxylic acid

C16H12N2O3 — CID 176885420

IUPAC4-benzyl-5-oxo-6H-1,6-naphthyridine-3-carboxylic acid
SMILESO=C(O)c1cnc2cc[nH]c(=O)c2c1Cc1ccccc1
InChIInChI=1S/C16H12N2O3/c19-15-14-11(8-10-4-2-1-3-5-10)12(16(20)21)9-18-13(14)6-7-17-15/h1-7,9H,8H2,(H,17,19)(H,20,21)
InChIKeySUEIZFKKTVCYFO-UHFFFAOYSA-N
MW280.28 g/mol
LogP2.21
Rot. Bonds3

About 4-benzyl-5-oxo-6H-1,6-naphthyridine-3-carboxylic acid

4-benzyl-5-oxo-6H-1,6-naphthyridine-3-carboxylic acid (PubChem CID 176885420) has the molecular formula C16H12N2O3 and a molecular weight of 280.28 g/mol. Its IUPAC name is 4-benzyl-5-oxo-6H-1,6-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-benzyl-5-oxo-6H-1,6-naphthyridine-3-carboxylic acid
PubChem CID176885420
Molecular FormulaC16H12N2O3
Molecular Weight280.28 g/mol
Exact Mass280.08
IUPAC Name4-benzyl-5-oxo-6H-1,6-naphthyridine-3-carboxylic acid
SMILESO=C(O)c1cnc2cc[nH]c(=O)c2c1Cc1ccccc1
InChIInChI=1S/C16H12N2O3/c19-15-14-11(8-10-4-2-1-3-5-10)12(16(20)21)9-18-13(14)6-7-17-15/h1-7,9H,8H2,(H,17,19)(H,20,21)
InChIKeySUEIZFKKTVCYFO-UHFFFAOYSA-N
XLogP2.21
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-5-oxo-6H-1,6-naphthyridine-3-carboxylic acid?
The IUPAC name of 4-benzyl-5-oxo-6H-1,6-naphthyridine-3-carboxylic acid (CID 176885420) is 4-benzyl-5-oxo-6H-1,6-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 4-benzyl-5-oxo-6H-1,6-naphthyridine-3-carboxylic acid?
The canonical SMILES for 4-benzyl-5-oxo-6H-1,6-naphthyridine-3-carboxylic acid is O=C(O)c1cnc2cc[nH]c(=O)c2c1Cc1ccccc1.
What is the InChIKey of 4-benzyl-5-oxo-6H-1,6-naphthyridine-3-carboxylic acid?
The InChIKey is SUEIZFKKTVCYFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O3/c19-15-14-11(8-10-4-2-1-3-5-10)12(16(20)21)9-18-13(14)6-7-17-15/h1-7,9H,8H2,(H,17,19)(H,20,21).
What are the key properties of 4-benzyl-5-oxo-6H-1,6-naphthyridine-3-carboxylic acid?
4-benzyl-5-oxo-6H-1,6-naphthyridine-3-carboxylic acid has a molecular weight of 280.28 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-5-oxo-6H-1,6-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 176885420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).