(4-fluorophenyl)methyl 3-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxylate

C23H16F2N2O3 — CID 68856808

IUPAC(4-fluorophenyl)methyl 3-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxylate
SMILESO=C(OCc1ccc(F)cc1)c1ncc2cc(Cc3ccc(F)cc3)cnc2c1O
InChIInChI=1S/C23H16F2N2O3/c24-18-5-1-14(2-6-18)9-16-10-17-12-27-21(22(28)20(17)26-11-16)23(29)30-13-15-3-7-19(25)8-4-15/h1-8,10-12,28H,9,13H2
InChIKeyHQECPELUEWHMPC-UHFFFAOYSA-N
MW406.39 g/mol
LogP4.56
Rot. Bonds5

About (4-fluorophenyl)methyl 3-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxylate

(4-fluorophenyl)methyl 3-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxylate (PubChem CID 68856808) has the molecular formula C23H16F2N2O3 and a molecular weight of 406.39 g/mol. Its IUPAC name is (4-fluorophenyl)methyl 3-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxylate.

Molecular Properties

Compound Name(4-fluorophenyl)methyl 3-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxylate
PubChem CID68856808
Molecular FormulaC23H16F2N2O3
Molecular Weight406.39 g/mol
Exact Mass406.11
IUPAC Name(4-fluorophenyl)methyl 3-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxylate
SMILESO=C(OCc1ccc(F)cc1)c1ncc2cc(Cc3ccc(F)cc3)cnc2c1O
InChIInChI=1S/C23H16F2N2O3/c24-18-5-1-14(2-6-18)9-16-10-17-12-27-21(22(28)20(17)26-11-16)23(29)30-13-15-3-7-19(25)8-4-15/h1-8,10-12,28H,9,13H2
InChIKeyHQECPELUEWHMPC-UHFFFAOYSA-N
XLogP4.56
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.39
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)methyl 3-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxylate?
The IUPAC name of (4-fluorophenyl)methyl 3-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxylate (CID 68856808) is (4-fluorophenyl)methyl 3-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxylate.
What is the SMILES notation for (4-fluorophenyl)methyl 3-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxylate?
The canonical SMILES for (4-fluorophenyl)methyl 3-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxylate is O=C(OCc1ccc(F)cc1)c1ncc2cc(Cc3ccc(F)cc3)cnc2c1O.
What is the InChIKey of (4-fluorophenyl)methyl 3-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxylate?
The InChIKey is HQECPELUEWHMPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F2N2O3/c24-18-5-1-14(2-6-18)9-16-10-17-12-27-21(22(28)20(17)26-11-16)23(29)30-13-15-3-7-19(25)8-4-15/h1-8,10-12,28H,9,13H2.
What are the key properties of (4-fluorophenyl)methyl 3-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxylate?
(4-fluorophenyl)methyl 3-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxylate has a molecular weight of 406.39 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)methyl 3-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxylate is sourced from PubChem (CID 68856808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).