5-(3-imidazol-1-ylpropoxy)-1,2,3,4-tetrahydroquinoline

C15H19N3O — CID 103045048

IUPAC5-(3-imidazol-1-ylpropoxy)-1,2,3,4-tetrahydroquinoline
SMILESc1cc2c(c(OCCCn3ccnc3)c1)CCCN2
InChIInChI=1S/C15H19N3O/c1-5-14-13(4-2-7-17-14)15(6-1)19-11-3-9-18-10-8-16-12-18/h1,5-6,8,10,12,17H,2-4,7,9,11H2
InChIKeyIBKRGUKIQOVKLN-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.71
Rot. Bonds5

About 5-(3-imidazol-1-ylpropoxy)-1,2,3,4-tetrahydroquinoline

5-(3-imidazol-1-ylpropoxy)-1,2,3,4-tetrahydroquinoline (PubChem CID 103045048) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 5-(3-imidazol-1-ylpropoxy)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name5-(3-imidazol-1-ylpropoxy)-1,2,3,4-tetrahydroquinoline
PubChem CID103045048
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name5-(3-imidazol-1-ylpropoxy)-1,2,3,4-tetrahydroquinoline
SMILESc1cc2c(c(OCCCn3ccnc3)c1)CCCN2
InChIInChI=1S/C15H19N3O/c1-5-14-13(4-2-7-17-14)15(6-1)19-11-3-9-18-10-8-16-12-18/h1,5-6,8,10,12,17H,2-4,7,9,11H2
InChIKeyIBKRGUKIQOVKLN-UHFFFAOYSA-N
XLogP2.71
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(3-imidazol-1-ylpropoxy)-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 5-(3-imidazol-1-ylpropoxy)-1,2,3,4-tetrahydroquinoline (CID 103045048) is 5-(3-imidazol-1-ylpropoxy)-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 5-(3-imidazol-1-ylpropoxy)-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 5-(3-imidazol-1-ylpropoxy)-1,2,3,4-tetrahydroquinoline is c1cc2c(c(OCCCn3ccnc3)c1)CCCN2.
What is the InChIKey of 5-(3-imidazol-1-ylpropoxy)-1,2,3,4-tetrahydroquinoline?
The InChIKey is IBKRGUKIQOVKLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-5-14-13(4-2-7-17-14)15(6-1)19-11-3-9-18-10-8-16-12-18/h1,5-6,8,10,12,17H,2-4,7,9,11H2.
What are the key properties of 5-(3-imidazol-1-ylpropoxy)-1,2,3,4-tetrahydroquinoline?
5-(3-imidazol-1-ylpropoxy)-1,2,3,4-tetrahydroquinoline has a molecular weight of 257.34 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-imidazol-1-ylpropoxy)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 103045048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).