2-[[4-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-yl]oxy]ethanol

C24H17FN4O2 — CID 56592210

IUPAC2-[[4-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-yl]oxy]ethanol
SMILESOCCOc1ncc(-c2cc(-c3ccccc3F)nc3ncccc23)c2ccncc12
InChIInChI=1S/C24H17FN4O2/c25-21-6-2-1-4-17(21)22-12-18(16-5-3-8-27-23(16)29-22)19-14-28-24(31-11-10-30)20-13-26-9-7-15(19)20/h1-9,12-14,30H,10-11H2
InChIKeySCOZEZJOSIAGNV-UHFFFAOYSA-N
MW412.42 g/mol
LogP4.42
Rot. Bonds5

About 2-[[4-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-yl]oxy]ethanol

2-[[4-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-yl]oxy]ethanol (PubChem CID 56592210) has the molecular formula C24H17FN4O2 and a molecular weight of 412.42 g/mol. Its IUPAC name is 2-[[4-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-yl]oxy]ethanol.

Molecular Properties

Compound Name2-[[4-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-yl]oxy]ethanol
PubChem CID56592210
Molecular FormulaC24H17FN4O2
Molecular Weight412.42 g/mol
Exact Mass412.13
IUPAC Name2-[[4-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-yl]oxy]ethanol
SMILESOCCOc1ncc(-c2cc(-c3ccccc3F)nc3ncccc23)c2ccncc12
InChIInChI=1S/C24H17FN4O2/c25-21-6-2-1-4-17(21)22-12-18(16-5-3-8-27-23(16)29-22)19-14-28-24(31-11-10-30)20-13-26-9-7-15(19)20/h1-9,12-14,30H,10-11H2
InChIKeySCOZEZJOSIAGNV-UHFFFAOYSA-N
XLogP4.42
TPSA81.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.42
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-yl]oxy]ethanol?
The IUPAC name of 2-[[4-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-yl]oxy]ethanol (CID 56592210) is 2-[[4-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-yl]oxy]ethanol.
What is the SMILES notation for 2-[[4-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-yl]oxy]ethanol?
The canonical SMILES for 2-[[4-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-yl]oxy]ethanol is OCCOc1ncc(-c2cc(-c3ccccc3F)nc3ncccc23)c2ccncc12.
What is the InChIKey of 2-[[4-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-yl]oxy]ethanol?
The InChIKey is SCOZEZJOSIAGNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17FN4O2/c25-21-6-2-1-4-17(21)22-12-18(16-5-3-8-27-23(16)29-22)19-14-28-24(31-11-10-30)20-13-26-9-7-15(19)20/h1-9,12-14,30H,10-11H2.
What are the key properties of 2-[[4-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-yl]oxy]ethanol?
2-[[4-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-yl]oxy]ethanol has a molecular weight of 412.42 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-yl]oxy]ethanol is sourced from PubChem (CID 56592210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).