4-benzo[f]isoquinolin-4-ylmorpholine

C17H16N2O — CID 10825519

IUPAC4-benzo[f]isoquinolin-4-ylmorpholine
SMILESc1ccc2c(c1)ccc1c(N3CCOCC3)nccc12
InChIInChI=1S/C17H16N2O/c1-2-4-14-13(3-1)5-6-16-15(14)7-8-18-17(16)19-9-11-20-12-10-19/h1-8H,9-12H2
InChIKeyLWEHXNPEXMDIRY-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.22
Rot. Bonds1

About 4-benzo[f]isoquinolin-4-ylmorpholine

4-benzo[f]isoquinolin-4-ylmorpholine (PubChem CID 10825519) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is 4-benzo[f]isoquinolin-4-ylmorpholine.

Molecular Properties

Compound Name4-benzo[f]isoquinolin-4-ylmorpholine
PubChem CID10825519
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name4-benzo[f]isoquinolin-4-ylmorpholine
SMILESc1ccc2c(c1)ccc1c(N3CCOCC3)nccc12
InChIInChI=1S/C17H16N2O/c1-2-4-14-13(3-1)5-6-16-15(14)7-8-18-17(16)19-9-11-20-12-10-19/h1-8H,9-12H2
InChIKeyLWEHXNPEXMDIRY-UHFFFAOYSA-N
XLogP3.22
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-benzo[f]isoquinolin-4-ylmorpholine?
The IUPAC name of 4-benzo[f]isoquinolin-4-ylmorpholine (CID 10825519) is 4-benzo[f]isoquinolin-4-ylmorpholine.
What is the SMILES notation for 4-benzo[f]isoquinolin-4-ylmorpholine?
The canonical SMILES for 4-benzo[f]isoquinolin-4-ylmorpholine is c1ccc2c(c1)ccc1c(N3CCOCC3)nccc12.
What is the InChIKey of 4-benzo[f]isoquinolin-4-ylmorpholine?
The InChIKey is LWEHXNPEXMDIRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c1-2-4-14-13(3-1)5-6-16-15(14)7-8-18-17(16)19-9-11-20-12-10-19/h1-8H,9-12H2.
What are the key properties of 4-benzo[f]isoquinolin-4-ylmorpholine?
4-benzo[f]isoquinolin-4-ylmorpholine has a molecular weight of 264.33 g/mol, XLogP of 3.22, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzo[f]isoquinolin-4-ylmorpholine is sourced from PubChem (CID 10825519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).