2-anilino-4-oxo-1-phenyl-1,6-naphthyridine-8-carboxylic acid

C21H15N3O3 — CID 10291839

IUPAC2-anilino-4-oxo-1-phenyl-1,6-naphthyridine-8-carboxylic acid
SMILESO=C(O)c1cncc2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c12
InChIInChI=1S/C21H15N3O3/c25-18-11-19(23-14-7-3-1-4-8-14)24(15-9-5-2-6-10-15)20-16(18)12-22-13-17(20)21(26)27/h1-13,23H,(H,26,27)
InChIKeyOAAZJGLEZRLKHG-UHFFFAOYSA-N
MW357.37 g/mol
LogP3.83
Rot. Bonds4

About 2-anilino-4-oxo-1-phenyl-1,6-naphthyridine-8-carboxylic acid

2-anilino-4-oxo-1-phenyl-1,6-naphthyridine-8-carboxylic acid (PubChem CID 10291839) has the molecular formula C21H15N3O3 and a molecular weight of 357.37 g/mol. Its IUPAC name is 2-anilino-4-oxo-1-phenyl-1,6-naphthyridine-8-carboxylic acid.

Molecular Properties

Compound Name2-anilino-4-oxo-1-phenyl-1,6-naphthyridine-8-carboxylic acid
PubChem CID10291839
Molecular FormulaC21H15N3O3
Molecular Weight357.37 g/mol
Exact Mass357.11
IUPAC Name2-anilino-4-oxo-1-phenyl-1,6-naphthyridine-8-carboxylic acid
SMILESO=C(O)c1cncc2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c12
InChIInChI=1S/C21H15N3O3/c25-18-11-19(23-14-7-3-1-4-8-14)24(15-9-5-2-6-10-15)20-16(18)12-22-13-17(20)21(26)27/h1-13,23H,(H,26,27)
InChIKeyOAAZJGLEZRLKHG-UHFFFAOYSA-N
XLogP3.83
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-anilino-4-oxo-1-phenyl-1,6-naphthyridine-8-carboxylic acid?
The IUPAC name of 2-anilino-4-oxo-1-phenyl-1,6-naphthyridine-8-carboxylic acid (CID 10291839) is 2-anilino-4-oxo-1-phenyl-1,6-naphthyridine-8-carboxylic acid.
What is the SMILES notation for 2-anilino-4-oxo-1-phenyl-1,6-naphthyridine-8-carboxylic acid?
The canonical SMILES for 2-anilino-4-oxo-1-phenyl-1,6-naphthyridine-8-carboxylic acid is O=C(O)c1cncc2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c12.
What is the InChIKey of 2-anilino-4-oxo-1-phenyl-1,6-naphthyridine-8-carboxylic acid?
The InChIKey is OAAZJGLEZRLKHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3O3/c25-18-11-19(23-14-7-3-1-4-8-14)24(15-9-5-2-6-10-15)20-16(18)12-22-13-17(20)21(26)27/h1-13,23H,(H,26,27).
What are the key properties of 2-anilino-4-oxo-1-phenyl-1,6-naphthyridine-8-carboxylic acid?
2-anilino-4-oxo-1-phenyl-1,6-naphthyridine-8-carboxylic acid has a molecular weight of 357.37 g/mol, XLogP of 3.83, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-4-oxo-1-phenyl-1,6-naphthyridine-8-carboxylic acid is sourced from PubChem (CID 10291839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).