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

C23H17FN2O3 — CID 59696487

IUPAC3-[(4-fluorophenyl)methyl]-8-phenylmethoxy-1,6-naphthyridine-7-carboxylic acid
SMILESO=C(O)c1ncc2cc(Cc3ccc(F)cc3)cnc2c1OCc1ccccc1
InChIInChI=1S/C23H17FN2O3/c24-19-8-6-15(7-9-19)10-17-11-18-13-26-21(23(27)28)22(20(18)25-12-17)29-14-16-4-2-1-3-5-16/h1-9,11-13H,10,14H2,(H,27,28)
InChIKeyCVRKIMMRDCGNEX-UHFFFAOYSA-N
MW388.40 g/mol
LogP4.64
Rot. Bonds6

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

3-[(4-fluorophenyl)methyl]-8-phenylmethoxy-1,6-naphthyridine-7-carboxylic acid (PubChem CID 59696487) has the molecular formula C23H17FN2O3 and a molecular weight of 388.40 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl]-8-phenylmethoxy-1,6-naphthyridine-7-carboxylic acid.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl]-8-phenylmethoxy-1,6-naphthyridine-7-carboxylic acid
PubChem CID59696487
Molecular FormulaC23H17FN2O3
Molecular Weight388.40 g/mol
Exact Mass388.12
IUPAC Name3-[(4-fluorophenyl)methyl]-8-phenylmethoxy-1,6-naphthyridine-7-carboxylic acid
SMILESO=C(O)c1ncc2cc(Cc3ccc(F)cc3)cnc2c1OCc1ccccc1
InChIInChI=1S/C23H17FN2O3/c24-19-8-6-15(7-9-19)10-17-11-18-13-26-21(23(27)28)22(20(18)25-12-17)29-14-16-4-2-1-3-5-16/h1-9,11-13H,10,14H2,(H,27,28)
InChIKeyCVRKIMMRDCGNEX-UHFFFAOYSA-N
XLogP4.64
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.40
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methyl]-8-phenylmethoxy-1,6-naphthyridine-7-carboxylic acid?
The IUPAC name of 3-[(4-fluorophenyl)methyl]-8-phenylmethoxy-1,6-naphthyridine-7-carboxylic acid (CID 59696487) is 3-[(4-fluorophenyl)methyl]-8-phenylmethoxy-1,6-naphthyridine-7-carboxylic acid.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl]-8-phenylmethoxy-1,6-naphthyridine-7-carboxylic acid?
The canonical SMILES for 3-[(4-fluorophenyl)methyl]-8-phenylmethoxy-1,6-naphthyridine-7-carboxylic acid is O=C(O)c1ncc2cc(Cc3ccc(F)cc3)cnc2c1OCc1ccccc1.
What is the InChIKey of 3-[(4-fluorophenyl)methyl]-8-phenylmethoxy-1,6-naphthyridine-7-carboxylic acid?
The InChIKey is CVRKIMMRDCGNEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FN2O3/c24-19-8-6-15(7-9-19)10-17-11-18-13-26-21(23(27)28)22(20(18)25-12-17)29-14-16-4-2-1-3-5-16/h1-9,11-13H,10,14H2,(H,27,28).
What are the key properties of 3-[(4-fluorophenyl)methyl]-8-phenylmethoxy-1,6-naphthyridine-7-carboxylic acid?
3-[(4-fluorophenyl)methyl]-8-phenylmethoxy-1,6-naphthyridine-7-carboxylic acid has a molecular weight of 388.40 g/mol, XLogP of 4.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methyl]-8-phenylmethoxy-1,6-naphthyridine-7-carboxylic acid is sourced from PubChem (CID 59696487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).