4-oxo-1-[[2-[4-(trifluoromethyl)phenyl]phenyl]methyl]-1,5-naphthyridine-3-carboxylic acid

C23H15F3N2O3 — CID 76902675

IUPAC4-oxo-1-[[2-[4-(trifluoromethyl)phenyl]phenyl]methyl]-1,5-naphthyridine-3-carboxylic acid
SMILESO=C(O)c1cn(Cc2ccccc2-c2ccc(C(F)(F)F)cc2)c2cccnc2c1=O
InChIInChI=1S/C23H15F3N2O3/c24-23(25,26)16-9-7-14(8-10-16)17-5-2-1-4-15(17)12-28-13-18(22(30)31)21(29)20-19(28)6-3-11-27-20/h1-11,13H,12H2,(H,30,31)
InChIKeyGVDKVTAODMEBMA-UHFFFAOYSA-N
MW424.38 g/mol
LogP4.83
Rot. Bonds4

About 4-oxo-1-[[2-[4-(trifluoromethyl)phenyl]phenyl]methyl]-1,5-naphthyridine-3-carboxylic acid

4-oxo-1-[[2-[4-(trifluoromethyl)phenyl]phenyl]methyl]-1,5-naphthyridine-3-carboxylic acid (PubChem CID 76902675) has the molecular formula C23H15F3N2O3 and a molecular weight of 424.38 g/mol. Its IUPAC name is 4-oxo-1-[[2-[4-(trifluoromethyl)phenyl]phenyl]methyl]-1,5-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-oxo-1-[[2-[4-(trifluoromethyl)phenyl]phenyl]methyl]-1,5-naphthyridine-3-carboxylic acid
PubChem CID76902675
Molecular FormulaC23H15F3N2O3
Molecular Weight424.38 g/mol
Exact Mass424.10
IUPAC Name4-oxo-1-[[2-[4-(trifluoromethyl)phenyl]phenyl]methyl]-1,5-naphthyridine-3-carboxylic acid
SMILESO=C(O)c1cn(Cc2ccccc2-c2ccc(C(F)(F)F)cc2)c2cccnc2c1=O
InChIInChI=1S/C23H15F3N2O3/c24-23(25,26)16-9-7-14(8-10-16)17-5-2-1-4-15(17)12-28-13-18(22(30)31)21(29)20-19(28)6-3-11-27-20/h1-11,13H,12H2,(H,30,31)
InChIKeyGVDKVTAODMEBMA-UHFFFAOYSA-N
XLogP4.83
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.38
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CP 67015
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CID 46224956
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Frequently Asked Questions

What is the IUPAC name of 4-oxo-1-[[2-[4-(trifluoromethyl)phenyl]phenyl]methyl]-1,5-naphthyridine-3-carboxylic acid?
The IUPAC name of 4-oxo-1-[[2-[4-(trifluoromethyl)phenyl]phenyl]methyl]-1,5-naphthyridine-3-carboxylic acid (CID 76902675) is 4-oxo-1-[[2-[4-(trifluoromethyl)phenyl]phenyl]methyl]-1,5-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 4-oxo-1-[[2-[4-(trifluoromethyl)phenyl]phenyl]methyl]-1,5-naphthyridine-3-carboxylic acid?
The canonical SMILES for 4-oxo-1-[[2-[4-(trifluoromethyl)phenyl]phenyl]methyl]-1,5-naphthyridine-3-carboxylic acid is O=C(O)c1cn(Cc2ccccc2-c2ccc(C(F)(F)F)cc2)c2cccnc2c1=O.
What is the InChIKey of 4-oxo-1-[[2-[4-(trifluoromethyl)phenyl]phenyl]methyl]-1,5-naphthyridine-3-carboxylic acid?
The InChIKey is GVDKVTAODMEBMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15F3N2O3/c24-23(25,26)16-9-7-14(8-10-16)17-5-2-1-4-15(17)12-28-13-18(22(30)31)21(29)20-19(28)6-3-11-27-20/h1-11,13H,12H2,(H,30,31).
What are the key properties of 4-oxo-1-[[2-[4-(trifluoromethyl)phenyl]phenyl]methyl]-1,5-naphthyridine-3-carboxylic acid?
4-oxo-1-[[2-[4-(trifluoromethyl)phenyl]phenyl]methyl]-1,5-naphthyridine-3-carboxylic acid has a molecular weight of 424.38 g/mol, XLogP of 4.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-1-[[2-[4-(trifluoromethyl)phenyl]phenyl]methyl]-1,5-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 76902675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).