2-(2-fluorophenyl)-4-(6-methoxyisoquinolin-5-yl)-1,8-naphthyridine

C24H16FN3O — CID 66632185

IUPAC2-(2-fluorophenyl)-4-(6-methoxyisoquinolin-5-yl)-1,8-naphthyridine
SMILESCOc1ccc2cnccc2c1-c1cc(-c2ccccc2F)nc2ncccc12
InChIInChI=1S/C24H16FN3O/c1-29-22-9-8-15-14-26-12-10-16(15)23(22)19-13-21(18-5-2-3-7-20(18)25)28-24-17(19)6-4-11-27-24/h2-14H,1H3
InChIKeyBUJRURMGFHAURE-UHFFFAOYSA-N
MW381.41 g/mol
LogP5.66
Rot. Bonds3

About 2-(2-fluorophenyl)-4-(6-methoxyisoquinolin-5-yl)-1,8-naphthyridine

2-(2-fluorophenyl)-4-(6-methoxyisoquinolin-5-yl)-1,8-naphthyridine (PubChem CID 66632185) has the molecular formula C24H16FN3O and a molecular weight of 381.41 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-4-(6-methoxyisoquinolin-5-yl)-1,8-naphthyridine.

Molecular Properties

Compound Name2-(2-fluorophenyl)-4-(6-methoxyisoquinolin-5-yl)-1,8-naphthyridine
PubChem CID66632185
Molecular FormulaC24H16FN3O
Molecular Weight381.41 g/mol
Exact Mass381.13
IUPAC Name2-(2-fluorophenyl)-4-(6-methoxyisoquinolin-5-yl)-1,8-naphthyridine
SMILESCOc1ccc2cnccc2c1-c1cc(-c2ccccc2F)nc2ncccc12
InChIInChI=1S/C24H16FN3O/c1-29-22-9-8-15-14-26-12-10-16(15)23(22)19-13-21(18-5-2-3-7-20(18)25)28-24-17(19)6-4-11-27-24/h2-14H,1H3
InChIKeyBUJRURMGFHAURE-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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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-4-(6-methoxyisoquinolin-5-yl)-1,8-naphthyridine?
The IUPAC name of 2-(2-fluorophenyl)-4-(6-methoxyisoquinolin-5-yl)-1,8-naphthyridine (CID 66632185) is 2-(2-fluorophenyl)-4-(6-methoxyisoquinolin-5-yl)-1,8-naphthyridine.
What is the SMILES notation for 2-(2-fluorophenyl)-4-(6-methoxyisoquinolin-5-yl)-1,8-naphthyridine?
The canonical SMILES for 2-(2-fluorophenyl)-4-(6-methoxyisoquinolin-5-yl)-1,8-naphthyridine is COc1ccc2cnccc2c1-c1cc(-c2ccccc2F)nc2ncccc12.
What is the InChIKey of 2-(2-fluorophenyl)-4-(6-methoxyisoquinolin-5-yl)-1,8-naphthyridine?
The InChIKey is BUJRURMGFHAURE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16FN3O/c1-29-22-9-8-15-14-26-12-10-16(15)23(22)19-13-21(18-5-2-3-7-20(18)25)28-24-17(19)6-4-11-27-24/h2-14H,1H3.
What are the key properties of 2-(2-fluorophenyl)-4-(6-methoxyisoquinolin-5-yl)-1,8-naphthyridine?
2-(2-fluorophenyl)-4-(6-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-(6-methoxyisoquinolin-5-yl)-1,8-naphthyridine is sourced from PubChem (CID 66632185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).