5-(3-imidazol-1-ylpropyl)-5,6,7,8-tetrahydroquinoline

C15H19N3 — CID 10752634

IUPAC5-(3-imidazol-1-ylpropyl)-5,6,7,8-tetrahydroquinoline
SMILESc1cnc2c(c1)C(CCCn1ccnc1)CCC2
InChIInChI=1S/C15H19N3/c1-4-13(5-3-10-18-11-9-16-12-18)14-6-2-8-17-15(14)7-1/h2,6,8-9,11-13H,1,3-5,7,10H2
InChIKeyDZIACHPSWDVDES-UHFFFAOYSA-N
MW241.34 g/mol
LogP3.18
Rot. Bonds4

About 5-(3-imidazol-1-ylpropyl)-5,6,7,8-tetrahydroquinoline

5-(3-imidazol-1-ylpropyl)-5,6,7,8-tetrahydroquinoline (PubChem CID 10752634) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 5-(3-imidazol-1-ylpropyl)-5,6,7,8-tetrahydroquinoline.

Molecular Properties

Compound Name5-(3-imidazol-1-ylpropyl)-5,6,7,8-tetrahydroquinoline
PubChem CID10752634
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name5-(3-imidazol-1-ylpropyl)-5,6,7,8-tetrahydroquinoline
SMILESc1cnc2c(c1)C(CCCn1ccnc1)CCC2
InChIInChI=1S/C15H19N3/c1-4-13(5-3-10-18-11-9-16-12-18)14-6-2-8-17-15(14)7-1/h2,6,8-9,11-13H,1,3-5,7,10H2
InChIKeyDZIACHPSWDVDES-UHFFFAOYSA-N
XLogP3.18
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3-imidazol-1-ylpropyl)-5,6,7,8-tetrahydroquinoline?
The IUPAC name of 5-(3-imidazol-1-ylpropyl)-5,6,7,8-tetrahydroquinoline (CID 10752634) is 5-(3-imidazol-1-ylpropyl)-5,6,7,8-tetrahydroquinoline.
What is the SMILES notation for 5-(3-imidazol-1-ylpropyl)-5,6,7,8-tetrahydroquinoline?
The canonical SMILES for 5-(3-imidazol-1-ylpropyl)-5,6,7,8-tetrahydroquinoline is c1cnc2c(c1)C(CCCn1ccnc1)CCC2.
What is the InChIKey of 5-(3-imidazol-1-ylpropyl)-5,6,7,8-tetrahydroquinoline?
The InChIKey is DZIACHPSWDVDES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-4-13(5-3-10-18-11-9-16-12-18)14-6-2-8-17-15(14)7-1/h2,6,8-9,11-13H,1,3-5,7,10H2.
What are the key properties of 5-(3-imidazol-1-ylpropyl)-5,6,7,8-tetrahydroquinoline?
5-(3-imidazol-1-ylpropyl)-5,6,7,8-tetrahydroquinoline has a molecular weight of 241.34 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-imidazol-1-ylpropyl)-5,6,7,8-tetrahydroquinoline is sourced from PubChem (CID 10752634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).