8-[1-(pyridin-4-ylmethyl)imidazol-2-yl]quinoline

C18H14N4 — CID 56741436

IUPAC8-[1-(pyridin-4-ylmethyl)imidazol-2-yl]quinoline
SMILESc1cnc2c(-c3nccn3Cc3ccncc3)cccc2c1
InChIInChI=1S/C18H14N4/c1-3-15-4-2-8-20-17(15)16(5-1)18-21-11-12-22(18)13-14-6-9-19-10-7-14/h1-12H,13H2
InChIKeyZVHHGIHGRVVDTL-UHFFFAOYSA-N
MW286.34 g/mol
LogP3.54
Rot. Bonds3

About 8-[1-(pyridin-4-ylmethyl)imidazol-2-yl]quinoline

8-[1-(pyridin-4-ylmethyl)imidazol-2-yl]quinoline (PubChem CID 56741436) has the molecular formula C18H14N4 and a molecular weight of 286.34 g/mol. Its IUPAC name is 8-[1-(pyridin-4-ylmethyl)imidazol-2-yl]quinoline.

Molecular Properties

Compound Name8-[1-(pyridin-4-ylmethyl)imidazol-2-yl]quinoline
PubChem CID56741436
Molecular FormulaC18H14N4
Molecular Weight286.34 g/mol
Exact Mass286.12
IUPAC Name8-[1-(pyridin-4-ylmethyl)imidazol-2-yl]quinoline
SMILESc1cnc2c(-c3nccn3Cc3ccncc3)cccc2c1
InChIInChI=1S/C18H14N4/c1-3-15-4-2-8-20-17(15)16(5-1)18-21-11-12-22(18)13-14-6-9-19-10-7-14/h1-12H,13H2
InChIKeyZVHHGIHGRVVDTL-UHFFFAOYSA-N
XLogP3.54
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[1-(pyridin-4-ylmethyl)imidazol-2-yl]quinoline?
The IUPAC name of 8-[1-(pyridin-4-ylmethyl)imidazol-2-yl]quinoline (CID 56741436) is 8-[1-(pyridin-4-ylmethyl)imidazol-2-yl]quinoline.
What is the SMILES notation for 8-[1-(pyridin-4-ylmethyl)imidazol-2-yl]quinoline?
The canonical SMILES for 8-[1-(pyridin-4-ylmethyl)imidazol-2-yl]quinoline is c1cnc2c(-c3nccn3Cc3ccncc3)cccc2c1.
What is the InChIKey of 8-[1-(pyridin-4-ylmethyl)imidazol-2-yl]quinoline?
The InChIKey is ZVHHGIHGRVVDTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4/c1-3-15-4-2-8-20-17(15)16(5-1)18-21-11-12-22(18)13-14-6-9-19-10-7-14/h1-12H,13H2.
What are the key properties of 8-[1-(pyridin-4-ylmethyl)imidazol-2-yl]quinoline?
8-[1-(pyridin-4-ylmethyl)imidazol-2-yl]quinoline has a molecular weight of 286.34 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[1-(pyridin-4-ylmethyl)imidazol-2-yl]quinoline is sourced from PubChem (CID 56741436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).