4-[morpholin-4-yl-(2-propylindazol-3-yl)phosphoryl]morpholine

C18H27N4O3P — CID 2332584

IUPAC4-[morpholin-4-yl-(2-propylindazol-3-yl)phosphoryl]morpholine
SMILESCCCn1nc2ccccc2c1P(=O)(N1CCOCC1)N1CCOCC1
InChIInChI=1S/C18H27N4O3P/c1-2-7-22-18(16-5-3-4-6-17(16)19-22)26(23,20-8-12-24-13-9-20)21-10-14-25-15-11-21/h3-6H,2,7-15H2,1H3
InChIKeyDHJIOBQWVKWKQO-UHFFFAOYSA-N
MW378.41 g/mol
LogP1.93
Rot. Bonds5

About 4-[morpholin-4-yl-(2-propylindazol-3-yl)phosphoryl]morpholine

4-[morpholin-4-yl-(2-propylindazol-3-yl)phosphoryl]morpholine (PubChem CID 2332584) has the molecular formula C18H27N4O3P and a molecular weight of 378.41 g/mol. Its IUPAC name is 4-[morpholin-4-yl-(2-propylindazol-3-yl)phosphoryl]morpholine.

Molecular Properties

Compound Name4-[morpholin-4-yl-(2-propylindazol-3-yl)phosphoryl]morpholine
PubChem CID2332584
Molecular FormulaC18H27N4O3P
Molecular Weight378.41 g/mol
Exact Mass378.18
IUPAC Name4-[morpholin-4-yl-(2-propylindazol-3-yl)phosphoryl]morpholine
SMILESCCCn1nc2ccccc2c1P(=O)(N1CCOCC1)N1CCOCC1
InChIInChI=1S/C18H27N4O3P/c1-2-7-22-18(16-5-3-4-6-17(16)19-22)26(23,20-8-12-24-13-9-20)21-10-14-25-15-11-21/h3-6H,2,7-15H2,1H3
InChIKeyDHJIOBQWVKWKQO-UHFFFAOYSA-N
XLogP1.93
TPSA59.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-[morpholin-4-yl-(2-propylindazol-3-yl)phosphoryl]morpholine?
The IUPAC name of 4-[morpholin-4-yl-(2-propylindazol-3-yl)phosphoryl]morpholine (CID 2332584) is 4-[morpholin-4-yl-(2-propylindazol-3-yl)phosphoryl]morpholine.
What is the SMILES notation for 4-[morpholin-4-yl-(2-propylindazol-3-yl)phosphoryl]morpholine?
The canonical SMILES for 4-[morpholin-4-yl-(2-propylindazol-3-yl)phosphoryl]morpholine is CCCn1nc2ccccc2c1P(=O)(N1CCOCC1)N1CCOCC1.
What is the InChIKey of 4-[morpholin-4-yl-(2-propylindazol-3-yl)phosphoryl]morpholine?
The InChIKey is DHJIOBQWVKWKQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N4O3P/c1-2-7-22-18(16-5-3-4-6-17(16)19-22)26(23,20-8-12-24-13-9-20)21-10-14-25-15-11-21/h3-6H,2,7-15H2,1H3.
What are the key properties of 4-[morpholin-4-yl-(2-propylindazol-3-yl)phosphoryl]morpholine?
4-[morpholin-4-yl-(2-propylindazol-3-yl)phosphoryl]morpholine has a molecular weight of 378.41 g/mol, XLogP of 1.93, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[morpholin-4-yl-(2-propylindazol-3-yl)phosphoryl]morpholine is sourced from PubChem (CID 2332584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).