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

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

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Related Compounds

5-(2-aminopropan-2-yl)-N-[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]-8-methoxyisoquinolin-3-amine
CID 165381093
6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-pyridinylmethyl)-4-quinazolinamine
CID 44142054
2-[2-[(2-Phenylmethoxyphenyl)methoxy]phenyl]-1,8-naphthyridine
CID 44530442
1-(3,4-dihydroisoquinolin-2(1H)-yl)-3-(3-(1-methyl-1H-pyrrolo[2,3-b]pyridin-6-yl)phenoxy)propan-2-ol
CID 86729269
US11780845, Example 1447
CID 155287435
8-ethoxy-N-[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]-5-[2-(methylamino)propan-2-yl]isoquinolin-3-amine
CID 166506458
5-Isoquinolin-6-yloxyquinazoline-2,4-diamine
CID 24777666
5-Isoquinolin-8-yloxyquinazoline-2,4-diamine
CID 24777667
4-N-(3-fluoro-4-isoquinolin-5-yloxyphenyl)-6-pyridin-4-ylpyrimidine-2,4-diamine
CID 20819964
4-[4-(4-Methoxynaphthalen-1-yl)-6-pyridin-4-ylpyrimidin-2-yl]morpholine
CID 44390916
2-methyl-7-phenyl-6H-chromeno[4,3-b][1,8]naphthyridine
CID 164611355
7-(4-methoxyphenyl)-6H-chromeno[4,3-b][1,8]naphthyridine
CID 164612050

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).