10-[3-(1,3-dihydroisoindol-2-yl)propyl]phenoxazine

C23H22N2O — CID 118724315

IUPAC10-[3-(1,3-dihydroisoindol-2-yl)propyl]phenoxazine
SMILESc1ccc2c(c1)CN(CCCN1c3ccccc3Oc3ccccc31)C2
InChIInChI=1S/C23H22N2O/c1-2-9-19-17-24(16-18(19)8-1)14-7-15-25-20-10-3-5-12-22(20)26-23-13-6-4-11-21(23)25/h1-6,8-13H,7,14-17H2
InChIKeyVXYNTNGLIAGLDP-UHFFFAOYSA-N
MW342.44 g/mol
LogP5.34
Rot. Bonds4

About 10-[3-(1,3-dihydroisoindol-2-yl)propyl]phenoxazine

10-[3-(1,3-dihydroisoindol-2-yl)propyl]phenoxazine (PubChem CID 118724315) has the molecular formula C23H22N2O and a molecular weight of 342.44 g/mol. Its IUPAC name is 10-[3-(1,3-dihydroisoindol-2-yl)propyl]phenoxazine.

Molecular Properties

Compound Name10-[3-(1,3-dihydroisoindol-2-yl)propyl]phenoxazine
PubChem CID118724315
Molecular FormulaC23H22N2O
Molecular Weight342.44 g/mol
Exact Mass342.17
IUPAC Name10-[3-(1,3-dihydroisoindol-2-yl)propyl]phenoxazine
SMILESc1ccc2c(c1)CN(CCCN1c3ccccc3Oc3ccccc31)C2
InChIInChI=1S/C23H22N2O/c1-2-9-19-17-24(16-18(19)8-1)14-7-15-25-20-10-3-5-12-22(20)26-23-13-6-4-11-21(23)25/h1-6,8-13H,7,14-17H2
InChIKeyVXYNTNGLIAGLDP-UHFFFAOYSA-N
XLogP5.34
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.44
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 10-[3-(1,3-dihydroisoindol-2-yl)propyl]phenoxazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 10-[3-(1,3-dihydroisoindol-2-yl)propyl]phenoxazine?
The IUPAC name of 10-[3-(1,3-dihydroisoindol-2-yl)propyl]phenoxazine (CID 118724315) is 10-[3-(1,3-dihydroisoindol-2-yl)propyl]phenoxazine.
What is the SMILES notation for 10-[3-(1,3-dihydroisoindol-2-yl)propyl]phenoxazine?
The canonical SMILES for 10-[3-(1,3-dihydroisoindol-2-yl)propyl]phenoxazine is c1ccc2c(c1)CN(CCCN1c3ccccc3Oc3ccccc31)C2.
What is the InChIKey of 10-[3-(1,3-dihydroisoindol-2-yl)propyl]phenoxazine?
The InChIKey is VXYNTNGLIAGLDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O/c1-2-9-19-17-24(16-18(19)8-1)14-7-15-25-20-10-3-5-12-22(20)26-23-13-6-4-11-21(23)25/h1-6,8-13H,7,14-17H2.
What are the key properties of 10-[3-(1,3-dihydroisoindol-2-yl)propyl]phenoxazine?
10-[3-(1,3-dihydroisoindol-2-yl)propyl]phenoxazine has a molecular weight of 342.44 g/mol, XLogP of 5.34, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3-(1,3-dihydroisoindol-2-yl)propyl]phenoxazine is sourced from PubChem (CID 118724315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).