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

C25H19FN4O2 — CID 68624797

IUPAC2-[1-amino-5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]oxyethanol
SMILESNc1nccc2c(-c3cc(-c4ccccc4F)nc4ncccc34)ccc(OCCO)c12
InChIInChI=1S/C25H19FN4O2/c26-20-6-2-1-4-18(20)21-14-19(17-5-3-10-29-25(17)30-21)15-7-8-22(32-13-12-31)23-16(15)9-11-28-24(23)27/h1-11,14,31H,12-13H2,(H2,27,28)
InChIKeyYQDOXKLXVRZAMU-UHFFFAOYSA-N
MW426.45 g/mol
LogP4.60
Rot. Bonds5

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

2-[1-amino-5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]oxyethanol (PubChem CID 68624797) has the molecular formula C25H19FN4O2 and a molecular weight of 426.45 g/mol. Its IUPAC name is 2-[1-amino-5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]oxyethanol.

Molecular Properties

Compound Name2-[1-amino-5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]oxyethanol
PubChem CID68624797
Molecular FormulaC25H19FN4O2
Molecular Weight426.45 g/mol
Exact Mass426.15
IUPAC Name2-[1-amino-5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]oxyethanol
SMILESNc1nccc2c(-c3cc(-c4ccccc4F)nc4ncccc34)ccc(OCCO)c12
InChIInChI=1S/C25H19FN4O2/c26-20-6-2-1-4-18(20)21-14-19(17-5-3-10-29-25(17)30-21)15-7-8-22(32-13-12-31)23-16(15)9-11-28-24(23)27/h1-11,14,31H,12-13H2,(H2,27,28)
InChIKeyYQDOXKLXVRZAMU-UHFFFAOYSA-N
XLogP4.60
TPSA94.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.45
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-amino-5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]oxyethanol?
The IUPAC name of 2-[1-amino-5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]oxyethanol (CID 68624797) is 2-[1-amino-5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]oxyethanol.
What is the SMILES notation for 2-[1-amino-5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]oxyethanol?
The canonical SMILES for 2-[1-amino-5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]oxyethanol is Nc1nccc2c(-c3cc(-c4ccccc4F)nc4ncccc34)ccc(OCCO)c12.
What is the InChIKey of 2-[1-amino-5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]oxyethanol?
The InChIKey is YQDOXKLXVRZAMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19FN4O2/c26-20-6-2-1-4-18(20)21-14-19(17-5-3-10-29-25(17)30-21)15-7-8-22(32-13-12-31)23-16(15)9-11-28-24(23)27/h1-11,14,31H,12-13H2,(H2,27,28).
What are the key properties of 2-[1-amino-5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]oxyethanol?
2-[1-amino-5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]oxyethanol has a molecular weight of 426.45 g/mol, XLogP of 4.60, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-amino-5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]oxyethanol is sourced from PubChem (CID 68624797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).