4-(1-pyridin-2-ylpyrazol-4-yl)quinoline

C17H12N4 — CID 70689779

IUPAC4-(1-pyridin-2-ylpyrazol-4-yl)quinoline
SMILESc1ccc(-n2cc(-c3ccnc4ccccc34)cn2)nc1
InChIInChI=1S/C17H12N4/c1-2-6-16-15(5-1)14(8-10-18-16)13-11-20-21(12-13)17-7-3-4-9-19-17/h1-12H
InChIKeyRYNJVAAFSBRXKS-UHFFFAOYSA-N
MW272.31 g/mol
LogP3.48
Rot. Bonds2

About 4-(1-pyridin-2-ylpyrazol-4-yl)quinoline

4-(1-pyridin-2-ylpyrazol-4-yl)quinoline (PubChem CID 70689779) has the molecular formula C17H12N4 and a molecular weight of 272.31 g/mol. Its IUPAC name is 4-(1-pyridin-2-ylpyrazol-4-yl)quinoline.

Molecular Properties

Compound Name4-(1-pyridin-2-ylpyrazol-4-yl)quinoline
PubChem CID70689779
Molecular FormulaC17H12N4
Molecular Weight272.31 g/mol
Exact Mass272.11
IUPAC Name4-(1-pyridin-2-ylpyrazol-4-yl)quinoline
SMILESc1ccc(-n2cc(-c3ccnc4ccccc34)cn2)nc1
InChIInChI=1S/C17H12N4/c1-2-6-16-15(5-1)14(8-10-18-16)13-11-20-21(12-13)17-7-3-4-9-19-17/h1-12H
InChIKeyRYNJVAAFSBRXKS-UHFFFAOYSA-N
XLogP3.48
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1-pyridin-2-ylpyrazol-4-yl)quinoline?
The IUPAC name of 4-(1-pyridin-2-ylpyrazol-4-yl)quinoline (CID 70689779) is 4-(1-pyridin-2-ylpyrazol-4-yl)quinoline.
What is the SMILES notation for 4-(1-pyridin-2-ylpyrazol-4-yl)quinoline?
The canonical SMILES for 4-(1-pyridin-2-ylpyrazol-4-yl)quinoline is c1ccc(-n2cc(-c3ccnc4ccccc34)cn2)nc1.
What is the InChIKey of 4-(1-pyridin-2-ylpyrazol-4-yl)quinoline?
The InChIKey is RYNJVAAFSBRXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4/c1-2-6-16-15(5-1)14(8-10-18-16)13-11-20-21(12-13)17-7-3-4-9-19-17/h1-12H.
What are the key properties of 4-(1-pyridin-2-ylpyrazol-4-yl)quinoline?
4-(1-pyridin-2-ylpyrazol-4-yl)quinoline has a molecular weight of 272.31 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-pyridin-2-ylpyrazol-4-yl)quinoline is sourced from PubChem (CID 70689779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).