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

C24H17FN4O — CID 146407816

IUPAC5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-N-methoxyisoquinolin-8-amine
SMILESCONc1ccc(-c2cc(-c3ccccc3F)nc3ncccc23)c2ccncc12
InChIInChI=1S/C24H17FN4O/c1-30-29-22-9-8-15(16-10-12-26-14-20(16)22)19-13-23(18-5-2-3-7-21(18)25)28-24-17(19)6-4-11-27-24/h2-14,29H,1H3
InChIKeyMRZGPHSHLZJCGV-UHFFFAOYSA-N
MW396.43 g/mol
LogP5.62
Rot. Bonds4

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

5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-N-methoxyisoquinolin-8-amine (PubChem CID 146407816) 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]-N-methoxyisoquinolin-8-amine.

Molecular Properties

Compound Name5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-N-methoxyisoquinolin-8-amine
PubChem CID146407816
Molecular FormulaC24H17FN4O
Molecular Weight396.43 g/mol
Exact Mass396.14
IUPAC Name5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-N-methoxyisoquinolin-8-amine
SMILESCONc1ccc(-c2cc(-c3ccccc3F)nc3ncccc23)c2ccncc12
InChIInChI=1S/C24H17FN4O/c1-30-29-22-9-8-15(16-10-12-26-14-20(16)22)19-13-23(18-5-2-3-7-21(18)25)28-24-17(19)6-4-11-27-24/h2-14,29H,1H3
InChIKeyMRZGPHSHLZJCGV-UHFFFAOYSA-N
XLogP5.62
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.43
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-N-methoxyisoquinolin-8-amine?
The IUPAC name of 5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-N-methoxyisoquinolin-8-amine (CID 146407816) is 5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-N-methoxyisoquinolin-8-amine.
What is the SMILES notation for 5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-N-methoxyisoquinolin-8-amine?
The canonical SMILES for 5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-N-methoxyisoquinolin-8-amine is CONc1ccc(-c2cc(-c3ccccc3F)nc3ncccc23)c2ccncc12.
What is the InChIKey of 5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-N-methoxyisoquinolin-8-amine?
The InChIKey is MRZGPHSHLZJCGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17FN4O/c1-30-29-22-9-8-15(16-10-12-26-14-20(16)22)19-13-23(18-5-2-3-7-21(18)25)28-24-17(19)6-4-11-27-24/h2-14,29H,1H3.
What are the key properties of 5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-N-methoxyisoquinolin-8-amine?
5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-N-methoxyisoquinolin-8-amine has a molecular weight of 396.43 g/mol, XLogP of 5.62, 4 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]-N-methoxyisoquinolin-8-amine is sourced from PubChem (CID 146407816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).