5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-8-methoxyisoquinolin-3-amine

C24H17FN4O — CID 66631778

IUPAC5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-8-methoxyisoquinolin-3-amine
SMILESCOc1ccc(-c2cc(-c3ccccc3F)nc3ncccc23)c2cc(N)ncc12
InChIInChI=1S/C24H17FN4O/c1-30-22-9-8-14(18-12-23(26)28-13-19(18)22)17-11-21(16-5-2-3-7-20(16)25)29-24-15(17)6-4-10-27-24/h2-13H,1H3,(H2,26,28)
InChIKeySXCYDIUNESVPHZ-UHFFFAOYSA-N
MW396.43 g/mol
LogP5.24
Rot. Bonds3

About 5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-8-methoxyisoquinolin-3-amine

5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-8-methoxyisoquinolin-3-amine (PubChem CID 66631778) has the molecular formula C24H17FN4O and a molecular weight of 396.43 g/mol. Its IUPAC name is 5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-8-methoxyisoquinolin-3-amine.

Molecular Properties

Compound Name5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-8-methoxyisoquinolin-3-amine
PubChem CID66631778
Molecular FormulaC24H17FN4O
Molecular Weight396.43 g/mol
Exact Mass396.14
IUPAC Name5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-8-methoxyisoquinolin-3-amine
SMILESCOc1ccc(-c2cc(-c3ccccc3F)nc3ncccc23)c2cc(N)ncc12
InChIInChI=1S/C24H17FN4O/c1-30-22-9-8-14(18-12-23(26)28-13-19(18)22)17-11-21(16-5-2-3-7-20(16)25)29-24-15(17)6-4-10-27-24/h2-13H,1H3,(H2,26,28)
InChIKeySXCYDIUNESVPHZ-UHFFFAOYSA-N
XLogP5.24
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.43
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-8-methoxyisoquinolin-3-amine?
The IUPAC name of 5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-8-methoxyisoquinolin-3-amine (CID 66631778) is 5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-8-methoxyisoquinolin-3-amine.
What is the SMILES notation for 5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-8-methoxyisoquinolin-3-amine?
The canonical SMILES for 5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-8-methoxyisoquinolin-3-amine is COc1ccc(-c2cc(-c3ccccc3F)nc3ncccc23)c2cc(N)ncc12.
What is the InChIKey of 5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-8-methoxyisoquinolin-3-amine?
The InChIKey is SXCYDIUNESVPHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17FN4O/c1-30-22-9-8-14(18-12-23(26)28-13-19(18)22)17-11-21(16-5-2-3-7-20(16)25)29-24-15(17)6-4-10-27-24/h2-13H,1H3,(H2,26,28).
What are the key properties of 5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-8-methoxyisoquinolin-3-amine?
5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-8-methoxyisoquinolin-3-amine has a molecular weight of 396.43 g/mol, XLogP of 5.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-8-methoxyisoquinolin-3-amine is sourced from PubChem (CID 66631778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).