4-oxo-1-[(4-phenylphenyl)methyl]-1,5-naphthyridine-3-carboxylic acid

C22H16N2O3 — CID 46885731

IUPAC4-oxo-1-[(4-phenylphenyl)methyl]-1,5-naphthyridine-3-carboxylic acid
SMILESO=C(O)c1cn(Cc2ccc(-c3ccccc3)cc2)c2cccnc2c1=O
InChIInChI=1S/C22H16N2O3/c25-21-18(22(26)27)14-24(19-7-4-12-23-20(19)21)13-15-8-10-17(11-9-15)16-5-2-1-3-6-16/h1-12,14H,13H2,(H,26,27)
InChIKeyGFKUETCHMIRCOJ-UHFFFAOYSA-N
MW356.38 g/mol
LogP3.81
Rot. Bonds4

About 4-oxo-1-[(4-phenylphenyl)methyl]-1,5-naphthyridine-3-carboxylic acid

4-oxo-1-[(4-phenylphenyl)methyl]-1,5-naphthyridine-3-carboxylic acid (PubChem CID 46885731) has the molecular formula C22H16N2O3 and a molecular weight of 356.38 g/mol. Its IUPAC name is 4-oxo-1-[(4-phenylphenyl)methyl]-1,5-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-oxo-1-[(4-phenylphenyl)methyl]-1,5-naphthyridine-3-carboxylic acid
PubChem CID46885731
Molecular FormulaC22H16N2O3
Molecular Weight356.38 g/mol
Exact Mass356.12
IUPAC Name4-oxo-1-[(4-phenylphenyl)methyl]-1,5-naphthyridine-3-carboxylic acid
SMILESO=C(O)c1cn(Cc2ccc(-c3ccccc3)cc2)c2cccnc2c1=O
InChIInChI=1S/C22H16N2O3/c25-21-18(22(26)27)14-24(19-7-4-12-23-20(19)21)13-15-8-10-17(11-9-15)16-5-2-1-3-6-16/h1-12,14H,13H2,(H,26,27)
InChIKeyGFKUETCHMIRCOJ-UHFFFAOYSA-N
XLogP3.81
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Rosoxacin
CID 287180
CP 67015
CID 127557
5-Fluoro-4-oxo-1-[(4-pyridin-3-ylphenyl)methyl]quinoline-3-carboxylic acid
CID 24963516
8-Fluoro-1-[[5-(6-fluoro-3-pyridinyl)-2-pyridinyl]methyl]-4-oxoquinoline-3-carboxylic acid
CID 46190807
AC1LA18U
CID 459803
1-[[5-(3-Aminophenyl)-2-pyridinyl]methyl]-8-fluoro-4-oxoquinoline-3-carboxylic acid
CID 44251609
8-Fluoro-4-oxo-1-[(6-phenyl-3-pyridinyl)methyl]quinoline-3-carboxylic acid
CID 44477152
8-Fluoro-4-oxo-1-[(6-pyridin-3-yl-3-pyridinyl)methyl]quinoline-3-carboxylic acid
CID 44477153
8-Fluoro-1-[[6-(4-fluorophenyl)-3-pyridinyl]methyl]-4-oxoquinoline-3-carboxylic acid
CID 44477154
8-Fluoro-4-oxo-1-[(5-phenyl-2-pyridinyl)methyl]quinoline-3-carboxylic acid
CID 46224956
8-Fluoro-1-[[5-(4-fluorophenyl)-2-pyridinyl]methyl]-4-oxoquinoline-3-carboxylic acid
CID 46224982
1-[[5-[3-(Dimethylamino)phenyl]-2-pyridinyl]methyl]-8-fluoro-4-oxoquinoline-3-carboxylic acid
CID 46225016

Frequently Asked Questions

What is the IUPAC name of 4-oxo-1-[(4-phenylphenyl)methyl]-1,5-naphthyridine-3-carboxylic acid?
The IUPAC name of 4-oxo-1-[(4-phenylphenyl)methyl]-1,5-naphthyridine-3-carboxylic acid (CID 46885731) is 4-oxo-1-[(4-phenylphenyl)methyl]-1,5-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 4-oxo-1-[(4-phenylphenyl)methyl]-1,5-naphthyridine-3-carboxylic acid?
The canonical SMILES for 4-oxo-1-[(4-phenylphenyl)methyl]-1,5-naphthyridine-3-carboxylic acid is O=C(O)c1cn(Cc2ccc(-c3ccccc3)cc2)c2cccnc2c1=O.
What is the InChIKey of 4-oxo-1-[(4-phenylphenyl)methyl]-1,5-naphthyridine-3-carboxylic acid?
The InChIKey is GFKUETCHMIRCOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O3/c25-21-18(22(26)27)14-24(19-7-4-12-23-20(19)21)13-15-8-10-17(11-9-15)16-5-2-1-3-6-16/h1-12,14H,13H2,(H,26,27).
What are the key properties of 4-oxo-1-[(4-phenylphenyl)methyl]-1,5-naphthyridine-3-carboxylic acid?
4-oxo-1-[(4-phenylphenyl)methyl]-1,5-naphthyridine-3-carboxylic acid has a molecular weight of 356.38 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-1-[(4-phenylphenyl)methyl]-1,5-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 46885731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).