4-[2-[(3E)-3-(isoquinolin-5-ylmethylidene)inden-1-yl]ethyl]morpholine

C25H24N2O — CID 72948234

IUPAC4-[2-[(3E)-3-(isoquinolin-5-ylmethylidene)inden-1-yl]ethyl]morpholine
SMILESC1=C(CCN2CCOCC2)c2ccccc2/C1=C/c1cccc2cnccc12
InChIInChI=1S/C25H24N2O/c1-2-7-25-22(16-19-4-3-5-21-18-26-10-8-23(19)21)17-20(24(25)6-1)9-11-27-12-14-28-15-13-27/h1-8,10,16-18H,9,11-15H2/b22-16+
InChIKeyGWOWAIHLEPEITG-CJLVFECKSA-N
MW368.48 g/mol
LogP4.89
Rot. Bonds4

About 4-[2-[(3E)-3-(isoquinolin-5-ylmethylidene)inden-1-yl]ethyl]morpholine

4-[2-[(3E)-3-(isoquinolin-5-ylmethylidene)inden-1-yl]ethyl]morpholine (PubChem CID 72948234) has the molecular formula C25H24N2O and a molecular weight of 368.48 g/mol. Its IUPAC name is 4-[2-[(3E)-3-(isoquinolin-5-ylmethylidene)inden-1-yl]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[(3E)-3-(isoquinolin-5-ylmethylidene)inden-1-yl]ethyl]morpholine
PubChem CID72948234
Molecular FormulaC25H24N2O
Molecular Weight368.48 g/mol
Exact Mass368.19
IUPAC Name4-[2-[(3E)-3-(isoquinolin-5-ylmethylidene)inden-1-yl]ethyl]morpholine
SMILESC1=C(CCN2CCOCC2)c2ccccc2/C1=C/c1cccc2cnccc12
InChIInChI=1S/C25H24N2O/c1-2-7-25-22(16-19-4-3-5-21-18-26-10-8-23(19)21)17-20(24(25)6-1)9-11-27-12-14-28-15-13-27/h1-8,10,16-18H,9,11-15H2/b22-16+
InChIKeyGWOWAIHLEPEITG-CJLVFECKSA-N
XLogP4.89
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(3E)-3-(isoquinolin-5-ylmethylidene)inden-1-yl]ethyl]morpholine?
The IUPAC name of 4-[2-[(3E)-3-(isoquinolin-5-ylmethylidene)inden-1-yl]ethyl]morpholine (CID 72948234) is 4-[2-[(3E)-3-(isoquinolin-5-ylmethylidene)inden-1-yl]ethyl]morpholine.
What is the SMILES notation for 4-[2-[(3E)-3-(isoquinolin-5-ylmethylidene)inden-1-yl]ethyl]morpholine?
The canonical SMILES for 4-[2-[(3E)-3-(isoquinolin-5-ylmethylidene)inden-1-yl]ethyl]morpholine is C1=C(CCN2CCOCC2)c2ccccc2/C1=C/c1cccc2cnccc12.
What is the InChIKey of 4-[2-[(3E)-3-(isoquinolin-5-ylmethylidene)inden-1-yl]ethyl]morpholine?
The InChIKey is GWOWAIHLEPEITG-CJLVFECKSA-N. The full InChI is InChI=1S/C25H24N2O/c1-2-7-25-22(16-19-4-3-5-21-18-26-10-8-23(19)21)17-20(24(25)6-1)9-11-27-12-14-28-15-13-27/h1-8,10,16-18H,9,11-15H2/b22-16+.
What are the key properties of 4-[2-[(3E)-3-(isoquinolin-5-ylmethylidene)inden-1-yl]ethyl]morpholine?
4-[2-[(3E)-3-(isoquinolin-5-ylmethylidene)inden-1-yl]ethyl]morpholine has a molecular weight of 368.48 g/mol, XLogP of 4.89, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(3E)-3-(isoquinolin-5-ylmethylidene)inden-1-yl]ethyl]morpholine is sourced from PubChem (CID 72948234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).