4-[2-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]oxyethyl]morpholine

C29H25FN4O2 — CID 56591951

IUPAC4-[2-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]oxyethyl]morpholine
SMILESFc1ccccc1-c1cc(-c2ccc(OCCN3CCOCC3)c3cnccc23)c2cccnc2n1
InChIInChI=1S/C29H25FN4O2/c30-26-6-2-1-4-23(26)27-18-24(22-5-3-10-32-29(22)33-27)20-7-8-28(25-19-31-11-9-21(20)25)36-17-14-34-12-15-35-16-13-34/h1-11,18-19H,12-17H2
InChIKeySTMJUFVYLHOMPQ-UHFFFAOYSA-N
MW480.54 g/mol
LogP5.36
Rot. Bonds6

About 4-[2-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]oxyethyl]morpholine

4-[2-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]oxyethyl]morpholine (PubChem CID 56591951) has the molecular formula C29H25FN4O2 and a molecular weight of 480.54 g/mol. Its IUPAC name is 4-[2-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]oxyethyl]morpholine.

Molecular Properties

Compound Name4-[2-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]oxyethyl]morpholine
PubChem CID56591951
Molecular FormulaC29H25FN4O2
Molecular Weight480.54 g/mol
Exact Mass480.20
IUPAC Name4-[2-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]oxyethyl]morpholine
SMILESFc1ccccc1-c1cc(-c2ccc(OCCN3CCOCC3)c3cnccc23)c2cccnc2n1
InChIInChI=1S/C29H25FN4O2/c30-26-6-2-1-4-23(26)27-18-24(22-5-3-10-32-29(22)33-27)20-7-8-28(25-19-31-11-9-21(20)25)36-17-14-34-12-15-35-16-13-34/h1-11,18-19H,12-17H2
InChIKeySTMJUFVYLHOMPQ-UHFFFAOYSA-N
XLogP5.36
TPSA60.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.54
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]oxyethyl]morpholine?
The IUPAC name of 4-[2-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]oxyethyl]morpholine (CID 56591951) is 4-[2-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]oxyethyl]morpholine.
What is the SMILES notation for 4-[2-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]oxyethyl]morpholine?
The canonical SMILES for 4-[2-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]oxyethyl]morpholine is Fc1ccccc1-c1cc(-c2ccc(OCCN3CCOCC3)c3cnccc23)c2cccnc2n1.
What is the InChIKey of 4-[2-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]oxyethyl]morpholine?
The InChIKey is STMJUFVYLHOMPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25FN4O2/c30-26-6-2-1-4-23(26)27-18-24(22-5-3-10-32-29(22)33-27)20-7-8-28(25-19-31-11-9-21(20)25)36-17-14-34-12-15-35-16-13-34/h1-11,18-19H,12-17H2.
What are the key properties of 4-[2-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]oxyethyl]morpholine?
4-[2-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]oxyethyl]morpholine has a molecular weight of 480.54 g/mol, XLogP of 5.36, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]oxyethyl]morpholine is sourced from PubChem (CID 56591951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).