4-[3-[[2-(1-oxidoquinolin-1-ium-3-yl)-1H-indol-5-yl]oxy]propyl]morpholine

C24H25N3O3 — CID 18436974

IUPAC4-[3-[[2-(1-oxidoquinolin-1-ium-3-yl)-1H-indol-5-yl]oxy]propyl]morpholine
SMILES[O-][n+]1cc(-c2cc3cc(OCCCN4CCOCC4)ccc3[nH]2)cc2ccccc21
InChIInChI=1S/C24H25N3O3/c28-27-17-20(14-18-4-1-2-5-24(18)27)23-16-19-15-21(6-7-22(19)25-23)30-11-3-8-26-9-12-29-13-10-26/h1-2,4-7,14-17,25H,3,8-13H2
InChIKeyBLGDFIIRWWJOLD-UHFFFAOYSA-N
MW403.48 g/mol
LogP3.72
Rot. Bonds6

About 4-[3-[[2-(1-oxidoquinolin-1-ium-3-yl)-1H-indol-5-yl]oxy]propyl]morpholine

4-[3-[[2-(1-oxidoquinolin-1-ium-3-yl)-1H-indol-5-yl]oxy]propyl]morpholine (PubChem CID 18436974) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is 4-[3-[[2-(1-oxidoquinolin-1-ium-3-yl)-1H-indol-5-yl]oxy]propyl]morpholine.

Molecular Properties

Compound Name4-[3-[[2-(1-oxidoquinolin-1-ium-3-yl)-1H-indol-5-yl]oxy]propyl]morpholine
PubChem CID18436974
Molecular FormulaC24H25N3O3
Molecular Weight403.48 g/mol
Exact Mass403.19
IUPAC Name4-[3-[[2-(1-oxidoquinolin-1-ium-3-yl)-1H-indol-5-yl]oxy]propyl]morpholine
SMILES[O-][n+]1cc(-c2cc3cc(OCCCN4CCOCC4)ccc3[nH]2)cc2ccccc21
InChIInChI=1S/C24H25N3O3/c28-27-17-20(14-18-4-1-2-5-24(18)27)23-16-19-15-21(6-7-22(19)25-23)30-11-3-8-26-9-12-29-13-10-26/h1-2,4-7,14-17,25H,3,8-13H2
InChIKeyBLGDFIIRWWJOLD-UHFFFAOYSA-N
XLogP3.72
TPSA64.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_pyridiniums_A(39)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[[2-(1-oxidoquinolin-1-ium-3-yl)-1H-indol-5-yl]oxy]propyl]morpholine?
The IUPAC name of 4-[3-[[2-(1-oxidoquinolin-1-ium-3-yl)-1H-indol-5-yl]oxy]propyl]morpholine (CID 18436974) is 4-[3-[[2-(1-oxidoquinolin-1-ium-3-yl)-1H-indol-5-yl]oxy]propyl]morpholine.
What is the SMILES notation for 4-[3-[[2-(1-oxidoquinolin-1-ium-3-yl)-1H-indol-5-yl]oxy]propyl]morpholine?
The canonical SMILES for 4-[3-[[2-(1-oxidoquinolin-1-ium-3-yl)-1H-indol-5-yl]oxy]propyl]morpholine is [O-][n+]1cc(-c2cc3cc(OCCCN4CCOCC4)ccc3[nH]2)cc2ccccc21.
What is the InChIKey of 4-[3-[[2-(1-oxidoquinolin-1-ium-3-yl)-1H-indol-5-yl]oxy]propyl]morpholine?
The InChIKey is BLGDFIIRWWJOLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3/c28-27-17-20(14-18-4-1-2-5-24(18)27)23-16-19-15-21(6-7-22(19)25-23)30-11-3-8-26-9-12-29-13-10-26/h1-2,4-7,14-17,25H,3,8-13H2.
What are the key properties of 4-[3-[[2-(1-oxidoquinolin-1-ium-3-yl)-1H-indol-5-yl]oxy]propyl]morpholine?
4-[3-[[2-(1-oxidoquinolin-1-ium-3-yl)-1H-indol-5-yl]oxy]propyl]morpholine has a molecular weight of 403.48 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[[2-(1-oxidoquinolin-1-ium-3-yl)-1H-indol-5-yl]oxy]propyl]morpholine is sourced from PubChem (CID 18436974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).