3-(2-pyridin-3-yl-1H-imidazol-5-yl)quinoline

C17H12N4 — CID 141253791

IUPAC3-(2-pyridin-3-yl-1H-imidazol-5-yl)quinoline
SMILESc1cncc(-c2ncc(-c3cnc4ccccc4c3)[nH]2)c1
InChIInChI=1S/C17H12N4/c1-2-6-15-12(4-1)8-14(10-19-15)16-11-20-17(21-16)13-5-3-7-18-9-13/h1-11H,(H,20,21)
InChIKeyDAOVELIHEKVIOV-UHFFFAOYSA-N
MW272.31 g/mol
LogP3.69
Rot. Bonds2

About 3-(2-pyridin-3-yl-1H-imidazol-5-yl)quinoline

3-(2-pyridin-3-yl-1H-imidazol-5-yl)quinoline (PubChem CID 141253791) has the molecular formula C17H12N4 and a molecular weight of 272.31 g/mol. Its IUPAC name is 3-(2-pyridin-3-yl-1H-imidazol-5-yl)quinoline.

Molecular Properties

Compound Name3-(2-pyridin-3-yl-1H-imidazol-5-yl)quinoline
PubChem CID141253791
Molecular FormulaC17H12N4
Molecular Weight272.31 g/mol
Exact Mass272.11
IUPAC Name3-(2-pyridin-3-yl-1H-imidazol-5-yl)quinoline
SMILESc1cncc(-c2ncc(-c3cnc4ccccc4c3)[nH]2)c1
InChIInChI=1S/C17H12N4/c1-2-6-15-12(4-1)8-14(10-19-15)16-11-20-17(21-16)13-5-3-7-18-9-13/h1-11H,(H,20,21)
InChIKeyDAOVELIHEKVIOV-UHFFFAOYSA-N
XLogP3.69
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-pyridin-3-yl-1H-imidazol-5-yl)quinoline?
The IUPAC name of 3-(2-pyridin-3-yl-1H-imidazol-5-yl)quinoline (CID 141253791) is 3-(2-pyridin-3-yl-1H-imidazol-5-yl)quinoline.
What is the SMILES notation for 3-(2-pyridin-3-yl-1H-imidazol-5-yl)quinoline?
The canonical SMILES for 3-(2-pyridin-3-yl-1H-imidazol-5-yl)quinoline is c1cncc(-c2ncc(-c3cnc4ccccc4c3)[nH]2)c1.
What is the InChIKey of 3-(2-pyridin-3-yl-1H-imidazol-5-yl)quinoline?
The InChIKey is DAOVELIHEKVIOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4/c1-2-6-15-12(4-1)8-14(10-19-15)16-11-20-17(21-16)13-5-3-7-18-9-13/h1-11H,(H,20,21).
What are the key properties of 3-(2-pyridin-3-yl-1H-imidazol-5-yl)quinoline?
3-(2-pyridin-3-yl-1H-imidazol-5-yl)quinoline has a molecular weight of 272.31 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-pyridin-3-yl-1H-imidazol-5-yl)quinoline is sourced from PubChem (CID 141253791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).