2-(2-fluorophenyl)-4-(8-methoxyisoquinolin-5-yl)-1,8-naphthyridine

C24H16FN3O — CID 56591860

IUPAC2-(2-fluorophenyl)-4-(8-methoxyisoquinolin-5-yl)-1,8-naphthyridine
SMILESCOc1ccc(-c2cc(-c3ccccc3F)nc3ncccc23)c2ccncc12
InChIInChI=1S/C24H16FN3O/c1-29-23-9-8-15(16-10-12-26-14-20(16)23)19-13-22(18-5-2-3-7-21(18)25)28-24-17(19)6-4-11-27-24/h2-14H,1H3
InChIKeyVYPRJARDRAOTOG-UHFFFAOYSA-N
MW381.41 g/mol
LogP5.66
Rot. Bonds3

About 2-(2-fluorophenyl)-4-(8-methoxyisoquinolin-5-yl)-1,8-naphthyridine

2-(2-fluorophenyl)-4-(8-methoxyisoquinolin-5-yl)-1,8-naphthyridine (PubChem CID 56591860) has the molecular formula C24H16FN3O and a molecular weight of 381.41 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-4-(8-methoxyisoquinolin-5-yl)-1,8-naphthyridine.

Molecular Properties

Compound Name2-(2-fluorophenyl)-4-(8-methoxyisoquinolin-5-yl)-1,8-naphthyridine
PubChem CID56591860
Molecular FormulaC24H16FN3O
Molecular Weight381.41 g/mol
Exact Mass381.13
IUPAC Name2-(2-fluorophenyl)-4-(8-methoxyisoquinolin-5-yl)-1,8-naphthyridine
SMILESCOc1ccc(-c2cc(-c3ccccc3F)nc3ncccc23)c2ccncc12
InChIInChI=1S/C24H16FN3O/c1-29-23-9-8-15(16-10-12-26-14-20(16)23)19-13-22(18-5-2-3-7-21(18)25)28-24-17(19)6-4-11-27-24/h2-14H,1H3
InChIKeyVYPRJARDRAOTOG-UHFFFAOYSA-N
XLogP5.66
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.41
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]oxy-N,N-dimethylethanamine
CID 56592560
5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-8-methoxy-2,6-naphthyridin-1-amine
CID 56592207
2-[1-amino-5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]oxyethanol
CID 68624797
4-[5-[(E)-but-2-en-2-yl]-3-pyridinyl]-2-(2-fluorophenyl)-1,8-naphthyridine
CID 134188632
4-bromo-2,7-naphthyridin-1-amine;[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]boronic acid;[4-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-yl]boronic acid;methane
CID 161456007
N-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]-N',N'-diethylethane-1,2-diamine
CID 56592654
2-[1-amino-5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]oxyethanol;4-[2-[[4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-yl]oxy]ethyl]morpholine;4-[2-[[4-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-yl]oxy]ethyl]morpholine
CID 159146253
N-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,6-naphthyridin-1-yl]-2-methoxyacetamide
CID 56592464
methyl 4-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]pyridine-3-carboxylate
CID 53372324
4-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]benzenesulfonamide
CID 53345829
5-fluoro-8-(3-methoxy-4-pyridinyl)quinoline
CID 162637941
2-(2-fluorophenyl)-1,8-naphthyridine
CID 3290795

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-4-(8-methoxyisoquinolin-5-yl)-1,8-naphthyridine?
The IUPAC name of 2-(2-fluorophenyl)-4-(8-methoxyisoquinolin-5-yl)-1,8-naphthyridine (CID 56591860) is 2-(2-fluorophenyl)-4-(8-methoxyisoquinolin-5-yl)-1,8-naphthyridine.
What is the SMILES notation for 2-(2-fluorophenyl)-4-(8-methoxyisoquinolin-5-yl)-1,8-naphthyridine?
The canonical SMILES for 2-(2-fluorophenyl)-4-(8-methoxyisoquinolin-5-yl)-1,8-naphthyridine is COc1ccc(-c2cc(-c3ccccc3F)nc3ncccc23)c2ccncc12.
What is the InChIKey of 2-(2-fluorophenyl)-4-(8-methoxyisoquinolin-5-yl)-1,8-naphthyridine?
The InChIKey is VYPRJARDRAOTOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16FN3O/c1-29-23-9-8-15(16-10-12-26-14-20(16)23)19-13-22(18-5-2-3-7-21(18)25)28-24-17(19)6-4-11-27-24/h2-14H,1H3.
What are the key properties of 2-(2-fluorophenyl)-4-(8-methoxyisoquinolin-5-yl)-1,8-naphthyridine?
2-(2-fluorophenyl)-4-(8-methoxyisoquinolin-5-yl)-1,8-naphthyridine has a molecular weight of 381.41 g/mol, XLogP of 5.66, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-4-(8-methoxyisoquinolin-5-yl)-1,8-naphthyridine is sourced from PubChem (CID 56591860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).