3-bromo-7-(1H-indol-5-yl)-10-(2-morpholin-4-ylethyl)phenoxazine

C26H24BrN3O2 — CID 171073514

IUPAC3-bromo-7-(1H-indol-5-yl)-10-(2-morpholin-4-ylethyl)phenoxazine
SMILESBrc1ccc2c(c1)Oc1cc(-c3ccc4[nH]ccc4c3)ccc1N2CCN1CCOCC1
InChIInChI=1S/C26H24BrN3O2/c27-21-3-6-24-26(17-21)32-25-16-19(18-1-4-22-20(15-18)7-8-28-22)2-5-23(25)30(24)10-9-29-11-13-31-14-12-29/h1-8,15-17,28H,9-14H2
InChIKeyHAOKVMYGDKPVMG-UHFFFAOYSA-N
MW490.40 g/mol
LogP6.17
Rot. Bonds4

About 3-bromo-7-(1H-indol-5-yl)-10-(2-morpholin-4-ylethyl)phenoxazine

3-bromo-7-(1H-indol-5-yl)-10-(2-morpholin-4-ylethyl)phenoxazine (PubChem CID 171073514) has the molecular formula C26H24BrN3O2 and a molecular weight of 490.40 g/mol. Its IUPAC name is 3-bromo-7-(1H-indol-5-yl)-10-(2-morpholin-4-ylethyl)phenoxazine.

Molecular Properties

Compound Name3-bromo-7-(1H-indol-5-yl)-10-(2-morpholin-4-ylethyl)phenoxazine
PubChem CID171073514
Molecular FormulaC26H24BrN3O2
Molecular Weight490.40 g/mol
Exact Mass489.11
IUPAC Name3-bromo-7-(1H-indol-5-yl)-10-(2-morpholin-4-ylethyl)phenoxazine
SMILESBrc1ccc2c(c1)Oc1cc(-c3ccc4[nH]ccc4c3)ccc1N2CCN1CCOCC1
InChIInChI=1S/C26H24BrN3O2/c27-21-3-6-24-26(17-21)32-25-16-19(18-1-4-22-20(15-18)7-8-28-22)2-5-23(25)30(24)10-9-29-11-13-31-14-12-29/h1-8,15-17,28H,9-14H2
InChIKeyHAOKVMYGDKPVMG-UHFFFAOYSA-N
XLogP6.17
TPSA40.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.40
LogP ≤ 56.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-7-(1H-indol-5-yl)-10-(2-morpholin-4-ylethyl)phenoxazine?
The IUPAC name of 3-bromo-7-(1H-indol-5-yl)-10-(2-morpholin-4-ylethyl)phenoxazine (CID 171073514) is 3-bromo-7-(1H-indol-5-yl)-10-(2-morpholin-4-ylethyl)phenoxazine.
What is the SMILES notation for 3-bromo-7-(1H-indol-5-yl)-10-(2-morpholin-4-ylethyl)phenoxazine?
The canonical SMILES for 3-bromo-7-(1H-indol-5-yl)-10-(2-morpholin-4-ylethyl)phenoxazine is Brc1ccc2c(c1)Oc1cc(-c3ccc4[nH]ccc4c3)ccc1N2CCN1CCOCC1.
What is the InChIKey of 3-bromo-7-(1H-indol-5-yl)-10-(2-morpholin-4-ylethyl)phenoxazine?
The InChIKey is HAOKVMYGDKPVMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24BrN3O2/c27-21-3-6-24-26(17-21)32-25-16-19(18-1-4-22-20(15-18)7-8-28-22)2-5-23(25)30(24)10-9-29-11-13-31-14-12-29/h1-8,15-17,28H,9-14H2.
What are the key properties of 3-bromo-7-(1H-indol-5-yl)-10-(2-morpholin-4-ylethyl)phenoxazine?
3-bromo-7-(1H-indol-5-yl)-10-(2-morpholin-4-ylethyl)phenoxazine has a molecular weight of 490.40 g/mol, XLogP of 6.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-7-(1H-indol-5-yl)-10-(2-morpholin-4-ylethyl)phenoxazine is sourced from PubChem (CID 171073514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).