4-phenanthridin-6-ylmorpholine

C17H16N2O — CID 823944

IUPAC4-phenanthridin-6-ylmorpholine
SMILESc1ccc2c(c1)nc(N1CCOCC1)c1ccccc12
InChIInChI=1S/C17H16N2O/c1-2-7-15-13(5-1)14-6-3-4-8-16(14)18-17(15)19-9-11-20-12-10-19/h1-8H,9-12H2
InChIKeySYUYWVFBFIUJND-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.22
Rot. Bonds1

About 4-phenanthridin-6-ylmorpholine

4-phenanthridin-6-ylmorpholine (PubChem CID 823944) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is 4-phenanthridin-6-ylmorpholine.

Molecular Properties

Compound Name4-phenanthridin-6-ylmorpholine
PubChem CID823944
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name4-phenanthridin-6-ylmorpholine
SMILESc1ccc2c(c1)nc(N1CCOCC1)c1ccccc12
InChIInChI=1S/C17H16N2O/c1-2-7-15-13(5-1)14-6-3-4-8-16(14)18-17(15)19-9-11-20-12-10-19/h1-8H,9-12H2
InChIKeySYUYWVFBFIUJND-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-phenanthridin-6-ylmorpholine?
The IUPAC name of 4-phenanthridin-6-ylmorpholine (CID 823944) is 4-phenanthridin-6-ylmorpholine.
What is the SMILES notation for 4-phenanthridin-6-ylmorpholine?
The canonical SMILES for 4-phenanthridin-6-ylmorpholine is c1ccc2c(c1)nc(N1CCOCC1)c1ccccc12.
What is the InChIKey of 4-phenanthridin-6-ylmorpholine?
The InChIKey is SYUYWVFBFIUJND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c1-2-7-15-13(5-1)14-6-3-4-8-16(14)18-17(15)19-9-11-20-12-10-19/h1-8H,9-12H2.
What are the key properties of 4-phenanthridin-6-ylmorpholine?
4-phenanthridin-6-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-phenanthridin-6-ylmorpholine is sourced from PubChem (CID 823944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).