2-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]oxyethanol

C25H18FN3O2 — CID 56592118

IUPAC2-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]oxyethanol
SMILESOCCOc1ccc(-c2cc(-c3ccccc3F)nc3ncccc23)c2ccncc12
InChIInChI=1S/C25H18FN3O2/c26-22-6-2-1-4-19(22)23-14-20(18-5-3-10-28-25(18)29-23)16-7-8-24(31-13-12-30)21-15-27-11-9-17(16)21/h1-11,14-15,30H,12-13H2
InChIKeyMFOZNFPMDBLWLB-UHFFFAOYSA-N
MW411.44 g/mol
LogP5.02
Rot. Bonds5

About 2-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]oxyethanol

2-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]oxyethanol (PubChem CID 56592118) has the molecular formula C25H18FN3O2 and a molecular weight of 411.44 g/mol. Its IUPAC name is 2-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]oxyethanol.

Molecular Properties

Compound Name2-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]oxyethanol
PubChem CID56592118
Molecular FormulaC25H18FN3O2
Molecular Weight411.44 g/mol
Exact Mass411.14
IUPAC Name2-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]oxyethanol
SMILESOCCOc1ccc(-c2cc(-c3ccccc3F)nc3ncccc23)c2ccncc12
InChIInChI=1S/C25H18FN3O2/c26-22-6-2-1-4-19(22)23-14-20(18-5-3-10-28-25(18)29-23)16-7-8-24(31-13-12-30)21-15-27-11-9-17(16)21/h1-11,14-15,30H,12-13H2
InChIKeyMFOZNFPMDBLWLB-UHFFFAOYSA-N
XLogP5.02
TPSA68.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.44
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]oxyethanol?
The IUPAC name of 2-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]oxyethanol (CID 56592118) is 2-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]oxyethanol.
What is the SMILES notation for 2-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]oxyethanol?
The canonical SMILES for 2-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]oxyethanol is OCCOc1ccc(-c2cc(-c3ccccc3F)nc3ncccc23)c2ccncc12.
What is the InChIKey of 2-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]oxyethanol?
The InChIKey is MFOZNFPMDBLWLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18FN3O2/c26-22-6-2-1-4-19(22)23-14-20(18-5-3-10-28-25(18)29-23)16-7-8-24(31-13-12-30)21-15-27-11-9-17(16)21/h1-11,14-15,30H,12-13H2.
What are the key properties of 2-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]oxyethanol?
2-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]oxyethanol has a molecular weight of 411.44 g/mol, XLogP of 5.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]oxyethanol is sourced from PubChem (CID 56592118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).