10-(4-morpholin-4-ylbutyl)phenoxazine

C20H24N2O2 — CID 10041941

IUPAC10-(4-morpholin-4-ylbutyl)phenoxazine
SMILESc1ccc2c(c1)Oc1ccccc1N2CCCCN1CCOCC1
InChIInChI=1S/C20H24N2O2/c1-3-9-19-17(7-1)22(18-8-2-4-10-20(18)24-19)12-6-5-11-21-13-15-23-16-14-21/h1-4,7-10H,5-6,11-16H2
InChIKeyMWQLYYRQMABZEU-UHFFFAOYSA-N
MW324.42 g/mol
LogP4.04
Rot. Bonds5

About 10-(4-morpholin-4-ylbutyl)phenoxazine

10-(4-morpholin-4-ylbutyl)phenoxazine (PubChem CID 10041941) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 10-(4-morpholin-4-ylbutyl)phenoxazine.

Molecular Properties

Compound Name10-(4-morpholin-4-ylbutyl)phenoxazine
PubChem CID10041941
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name10-(4-morpholin-4-ylbutyl)phenoxazine
SMILESc1ccc2c(c1)Oc1ccccc1N2CCCCN1CCOCC1
InChIInChI=1S/C20H24N2O2/c1-3-9-19-17(7-1)22(18-8-2-4-10-20(18)24-19)12-6-5-11-21-13-15-23-16-14-21/h1-4,7-10H,5-6,11-16H2
InChIKeyMWQLYYRQMABZEU-UHFFFAOYSA-N
XLogP4.04
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_666_B(3)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 10-(4-morpholin-4-ylbutyl)phenoxazine?
The IUPAC name of 10-(4-morpholin-4-ylbutyl)phenoxazine (CID 10041941) is 10-(4-morpholin-4-ylbutyl)phenoxazine.
What is the SMILES notation for 10-(4-morpholin-4-ylbutyl)phenoxazine?
The canonical SMILES for 10-(4-morpholin-4-ylbutyl)phenoxazine is c1ccc2c(c1)Oc1ccccc1N2CCCCN1CCOCC1.
What is the InChIKey of 10-(4-morpholin-4-ylbutyl)phenoxazine?
The InChIKey is MWQLYYRQMABZEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-3-9-19-17(7-1)22(18-8-2-4-10-20(18)24-19)12-6-5-11-21-13-15-23-16-14-21/h1-4,7-10H,5-6,11-16H2.
What are the key properties of 10-(4-morpholin-4-ylbutyl)phenoxazine?
10-(4-morpholin-4-ylbutyl)phenoxazine has a molecular weight of 324.42 g/mol, XLogP of 4.04, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4-morpholin-4-ylbutyl)phenoxazine is sourced from PubChem (CID 10041941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).