3-[(4-fluorophenyl)methyl]-8-[(4-methoxyphenyl)methoxy]-1,6-naphthyridine-7-carboxylic acid

C24H19FN2O4 — CID 59696283

IUPAC3-[(4-fluorophenyl)methyl]-8-[(4-methoxyphenyl)methoxy]-1,6-naphthyridine-7-carboxylic acid
SMILESCOc1ccc(COc2c(C(=O)O)ncc3cc(Cc4ccc(F)cc4)cnc23)cc1
InChIInChI=1S/C24H19FN2O4/c1-30-20-8-4-16(5-9-20)14-31-23-21-18(13-27-22(23)24(28)29)11-17(12-26-21)10-15-2-6-19(25)7-3-15/h2-9,11-13H,10,14H2,1H3,(H,28,29)
InChIKeyMCLLUOGWCDDCLE-UHFFFAOYSA-N
MW418.42 g/mol
LogP4.65
Rot. Bonds7

About 3-[(4-fluorophenyl)methyl]-8-[(4-methoxyphenyl)methoxy]-1,6-naphthyridine-7-carboxylic acid

3-[(4-fluorophenyl)methyl]-8-[(4-methoxyphenyl)methoxy]-1,6-naphthyridine-7-carboxylic acid (PubChem CID 59696283) has the molecular formula C24H19FN2O4 and a molecular weight of 418.42 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl]-8-[(4-methoxyphenyl)methoxy]-1,6-naphthyridine-7-carboxylic acid.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl]-8-[(4-methoxyphenyl)methoxy]-1,6-naphthyridine-7-carboxylic acid
PubChem CID59696283
Molecular FormulaC24H19FN2O4
Molecular Weight418.42 g/mol
Exact Mass418.13
IUPAC Name3-[(4-fluorophenyl)methyl]-8-[(4-methoxyphenyl)methoxy]-1,6-naphthyridine-7-carboxylic acid
SMILESCOc1ccc(COc2c(C(=O)O)ncc3cc(Cc4ccc(F)cc4)cnc23)cc1
InChIInChI=1S/C24H19FN2O4/c1-30-20-8-4-16(5-9-20)14-31-23-21-18(13-27-22(23)24(28)29)11-17(12-26-21)10-15-2-6-19(25)7-3-15/h2-9,11-13H,10,14H2,1H3,(H,28,29)
InChIKeyMCLLUOGWCDDCLE-UHFFFAOYSA-N
XLogP4.65
TPSA81.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.42
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methyl]-8-[(4-methoxyphenyl)methoxy]-1,6-naphthyridine-7-carboxylic acid?
The IUPAC name of 3-[(4-fluorophenyl)methyl]-8-[(4-methoxyphenyl)methoxy]-1,6-naphthyridine-7-carboxylic acid (CID 59696283) is 3-[(4-fluorophenyl)methyl]-8-[(4-methoxyphenyl)methoxy]-1,6-naphthyridine-7-carboxylic acid.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl]-8-[(4-methoxyphenyl)methoxy]-1,6-naphthyridine-7-carboxylic acid?
The canonical SMILES for 3-[(4-fluorophenyl)methyl]-8-[(4-methoxyphenyl)methoxy]-1,6-naphthyridine-7-carboxylic acid is COc1ccc(COc2c(C(=O)O)ncc3cc(Cc4ccc(F)cc4)cnc23)cc1.
What is the InChIKey of 3-[(4-fluorophenyl)methyl]-8-[(4-methoxyphenyl)methoxy]-1,6-naphthyridine-7-carboxylic acid?
The InChIKey is MCLLUOGWCDDCLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN2O4/c1-30-20-8-4-16(5-9-20)14-31-23-21-18(13-27-22(23)24(28)29)11-17(12-26-21)10-15-2-6-19(25)7-3-15/h2-9,11-13H,10,14H2,1H3,(H,28,29).
What are the key properties of 3-[(4-fluorophenyl)methyl]-8-[(4-methoxyphenyl)methoxy]-1,6-naphthyridine-7-carboxylic acid?
3-[(4-fluorophenyl)methyl]-8-[(4-methoxyphenyl)methoxy]-1,6-naphthyridine-7-carboxylic acid has a molecular weight of 418.42 g/mol, XLogP of 4.65, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methyl]-8-[(4-methoxyphenyl)methoxy]-1,6-naphthyridine-7-carboxylic acid is sourced from PubChem (CID 59696283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).