4-[(3-methyl-2-phenylindolizin-1-yl)-morpholin-4-ylphosphoryl]morpholine

C23H28N3O3P — CID 2305351

IUPAC4-[(3-methyl-2-phenylindolizin-1-yl)-morpholin-4-ylphosphoryl]morpholine
SMILESCc1c(-c2ccccc2)c(P(=O)(N2CCOCC2)N2CCOCC2)c2ccccn12
InChIInChI=1S/C23H28N3O3P/c1-19-22(20-7-3-2-4-8-20)23(21-9-5-6-10-26(19)21)30(27,24-11-15-28-16-12-24)25-13-17-29-18-14-25/h2-10H,11-18H2,1H3
InChIKeyACSVKBSAEBANRV-UHFFFAOYSA-N
MW425.47 g/mol
LogP3.40
Rot. Bonds4

About 4-[(3-methyl-2-phenylindolizin-1-yl)-morpholin-4-ylphosphoryl]morpholine

4-[(3-methyl-2-phenylindolizin-1-yl)-morpholin-4-ylphosphoryl]morpholine (PubChem CID 2305351) has the molecular formula C23H28N3O3P and a molecular weight of 425.47 g/mol. Its IUPAC name is 4-[(3-methyl-2-phenylindolizin-1-yl)-morpholin-4-ylphosphoryl]morpholine.

Molecular Properties

Compound Name4-[(3-methyl-2-phenylindolizin-1-yl)-morpholin-4-ylphosphoryl]morpholine
PubChem CID2305351
Molecular FormulaC23H28N3O3P
Molecular Weight425.47 g/mol
Exact Mass425.19
IUPAC Name4-[(3-methyl-2-phenylindolizin-1-yl)-morpholin-4-ylphosphoryl]morpholine
SMILESCc1c(-c2ccccc2)c(P(=O)(N2CCOCC2)N2CCOCC2)c2ccccn12
InChIInChI=1S/C23H28N3O3P/c1-19-22(20-7-3-2-4-8-20)23(21-9-5-6-10-26(19)21)30(27,24-11-15-28-16-12-24)25-13-17-29-18-14-25/h2-10H,11-18H2,1H3
InChIKeyACSVKBSAEBANRV-UHFFFAOYSA-N
XLogP3.40
TPSA46.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.47
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-methyl-2-phenylindolizin-1-yl)-morpholin-4-ylphosphoryl]morpholine?
The IUPAC name of 4-[(3-methyl-2-phenylindolizin-1-yl)-morpholin-4-ylphosphoryl]morpholine (CID 2305351) is 4-[(3-methyl-2-phenylindolizin-1-yl)-morpholin-4-ylphosphoryl]morpholine.
What is the SMILES notation for 4-[(3-methyl-2-phenylindolizin-1-yl)-morpholin-4-ylphosphoryl]morpholine?
The canonical SMILES for 4-[(3-methyl-2-phenylindolizin-1-yl)-morpholin-4-ylphosphoryl]morpholine is Cc1c(-c2ccccc2)c(P(=O)(N2CCOCC2)N2CCOCC2)c2ccccn12.
What is the InChIKey of 4-[(3-methyl-2-phenylindolizin-1-yl)-morpholin-4-ylphosphoryl]morpholine?
The InChIKey is ACSVKBSAEBANRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N3O3P/c1-19-22(20-7-3-2-4-8-20)23(21-9-5-6-10-26(19)21)30(27,24-11-15-28-16-12-24)25-13-17-29-18-14-25/h2-10H,11-18H2,1H3.
What are the key properties of 4-[(3-methyl-2-phenylindolizin-1-yl)-morpholin-4-ylphosphoryl]morpholine?
4-[(3-methyl-2-phenylindolizin-1-yl)-morpholin-4-ylphosphoryl]morpholine has a molecular weight of 425.47 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methyl-2-phenylindolizin-1-yl)-morpholin-4-ylphosphoryl]morpholine is sourced from PubChem (CID 2305351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).