5-[2-(2,5-difluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-amine;2-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]oxyethanol;1-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-5-methoxy-2,6-naphthyridine

C71H47F4N11O3 — CID 161001017

IUPAC5-[2-(2,5-difluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-amine;2-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]oxyethanol;1-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-5-methoxy-2,6-naphthyridine
SMILESCOc1nccc2c(-c3cc(-c4ccccc4F)nc4ncccc34)nccc12.Nc1ccc(-c2cc(-c3cc(F)ccc3F)nc3ncccc23)c2ccncc12.OCCOc1ccc(-c2cc(-c3ccccc3F)nc3ncccc23)c2ccncc12
InChIInChI=1S/C25H18FN3O2.C23H14F2N4.C23H15FN4O/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;24-13-3-5-20(25)18(10-13)22-11-17(16-2-1-8-28-23(16)29-22)14-4-6-21(26)19-12-27-9-7-15(14)19;1-29-23-16-9-11-25-21(14(16)8-12-27-23)18-13-20(17-5-2-3-7-19(17)24)28-22-15(18)6-4-10-26-22/h1-11,14-15,30H,12-13H2;1-12H,26H2;2-13H,1H3
InChIKeyTVWMCOKKQPLRKJ-UHFFFAOYSA-N
MW1178.22 g/mol
LogP15.45
Rot. Bonds10

About 5-[2-(2,5-difluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-amine;2-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]oxyethanol;1-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-5-methoxy-2,6-naphthyridine

5-[2-(2,5-difluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-amine;2-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]oxyethanol;1-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-5-methoxy-2,6-naphthyridine (PubChem CID 161001017) has the molecular formula C71H47F4N11O3 and a molecular weight of 1178.22 g/mol. Its IUPAC name is 5-[2-(2,5-difluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-amine;2-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]oxyethanol;1-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-5-methoxy-2,6-naphthyridine.

Molecular Properties

Compound Name5-[2-(2,5-difluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-amine;2-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]oxyethanol;1-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-5-methoxy-2,6-naphthyridine
PubChem CID161001017
Molecular FormulaC71H47F4N11O3
Molecular Weight1178.22 g/mol
Exact Mass1177.38
IUPAC Name5-[2-(2,5-difluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-amine;2-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]oxyethanol;1-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-5-methoxy-2,6-naphthyridine
SMILESCOc1nccc2c(-c3cc(-c4ccccc4F)nc4ncccc34)nccc12.Nc1ccc(-c2cc(-c3cc(F)ccc3F)nc3ncccc23)c2ccncc12.OCCOc1ccc(-c2cc(-c3ccccc3F)nc3ncccc23)c2ccncc12
InChIInChI=1S/C25H18FN3O2.C23H14F2N4.C23H15FN4O/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;24-13-3-5-20(25)18(10-13)22-11-17(16-2-1-8-28-23(16)29-22)14-4-6-21(26)19-12-27-9-7-15(14)19;1-29-23-16-9-11-25-21(14(16)8-12-27-23)18-13-20(17-5-2-3-7-19(17)24)28-22-15(18)6-4-10-26-22/h1-11,14-15,30H,12-13H2;1-12H,26H2;2-13H,1H3
InChIKeyTVWMCOKKQPLRKJ-UHFFFAOYSA-N
XLogP15.45
TPSA193.61 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds10
Heavy Atoms89
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001178.22
LogP ≤ 515.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 5-[2-(2,5-difluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-amine;2-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]oxyethanol;1-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-5-methoxy-2,6-naphthyridine with MolForge

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Related Compounds

N-isoquinolin-6-yl-2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)quinazolin-4-amine;bis(2,2,2-trifluoroacetic acid)
CID 117075789
N-isoquinolin-5-yl-2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)quinazolin-4-amine;bis(2,2,2-trifluoroacetic acid)
CID 117075791
4-N-(3-fluoro-4-isoquinolin-5-yloxyphenyl)-6-quinolin-6-ylpyrimidine-2,4-diamine
CID 12114243
2-(2-Fluoro-phenyl)-4-[8-(2-morpholin-4-yl-ethoxy)-isoquinolin-5-yl]-[1,8]naphthyridine
CID 56591951
5-[2-(2-Fluorophenyl)-1,8-naphthyridin-4-yl]-8-methoxyisoquinolin-1-amine
CID 56591952
2-{5-[2-(2-Fluoro-phenyl)-[1,8]naphthyridin-4-yl]-isoquinolin-8-yloxy}-ethanol
CID 56592118
Ethanol, 2-[[8-amino-4-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-yl]oxy]-
CID 56592374
5-[2-(2-Fluorophenyl)-1,8-naphthyridin-4-yl]-8-methoxyisoquinolin-3-amine
CID 66631778
N-isoquinolin-5-yl-7-phenylmethoxy-6-[4-(trifluoromethyl)phenyl]quinazolin-2-amine
CID 67061429
6-methyl-5-[3-[2-(methylamino)pyrimidin-4-yl]pyridin-2-yl]oxy-N-[2-methyl-5-(trifluoromethyl)phenyl]isoquinolin-1-amine
CID 68151539
2-[5-[2-(2,5-difluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]oxy-N,N-diethylethanamine
CID 68620461
2-[1-Amino-5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]oxyethanol
CID 68624797

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2,5-difluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-amine;2-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]oxyethanol;1-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-5-methoxy-2,6-naphthyridine?
The IUPAC name of 5-[2-(2,5-difluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-amine;2-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]oxyethanol;1-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-5-methoxy-2,6-naphthyridine (CID 161001017) is 5-[2-(2,5-difluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-amine;2-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]oxyethanol;1-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-5-methoxy-2,6-naphthyridine.
What is the SMILES notation for 5-[2-(2,5-difluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-amine;2-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]oxyethanol;1-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-5-methoxy-2,6-naphthyridine?
The canonical SMILES for 5-[2-(2,5-difluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-amine;2-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]oxyethanol;1-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-5-methoxy-2,6-naphthyridine is COc1nccc2c(-c3cc(-c4ccccc4F)nc4ncccc34)nccc12.Nc1ccc(-c2cc(-c3cc(F)ccc3F)nc3ncccc23)c2ccncc12.OCCOc1ccc(-c2cc(-c3ccccc3F)nc3ncccc23)c2ccncc12.
What is the InChIKey of 5-[2-(2,5-difluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-amine;2-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]oxyethanol;1-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-5-methoxy-2,6-naphthyridine?
The InChIKey is TVWMCOKKQPLRKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18FN3O2.C23H14F2N4.C23H15FN4O/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;24-13-3-5-20(25)18(10-13)22-11-17(16-2-1-8-28-23(16)29-22)14-4-6-21(26)19-12-27-9-7-15(14)19;1-29-23-16-9-11-25-21(14(16)8-12-27-23)18-13-20(17-5-2-3-7-19(17)24)28-22-15(18)6-4-10-26-22/h1-11,14-15,30H,12-13H2;1-12H,26H2;2-13H,1H3.
What are the key properties of 5-[2-(2,5-difluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-amine;2-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]oxyethanol;1-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-5-methoxy-2,6-naphthyridine?
5-[2-(2,5-difluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-amine;2-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]oxyethanol;1-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-5-methoxy-2,6-naphthyridine has a molecular weight of 1178.22 g/mol, XLogP of 15.45, 10 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2,5-difluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-amine;2-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]oxyethanol;1-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-5-methoxy-2,6-naphthyridine is sourced from PubChem (CID 161001017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).