4-(1-benzyl-3-pyridin-2-ylpyrazol-4-yl)quinoline

C24H18N4 — CID 10361281

IUPAC4-(1-benzyl-3-pyridin-2-ylpyrazol-4-yl)quinoline
SMILESc1ccc(Cn2cc(-c3ccnc4ccccc34)c(-c3ccccn3)n2)cc1
InChIInChI=1S/C24H18N4/c1-2-8-18(9-3-1)16-28-17-21(24(27-28)23-12-6-7-14-25-23)19-13-15-26-22-11-5-4-10-20(19)22/h1-15,17H,16H2
InChIKeyOUGRNXPVTYJQNC-UHFFFAOYSA-N
MW362.44 g/mol
LogP5.21
Rot. Bonds4

About 4-(1-benzyl-3-pyridin-2-ylpyrazol-4-yl)quinoline

4-(1-benzyl-3-pyridin-2-ylpyrazol-4-yl)quinoline (PubChem CID 10361281) has the molecular formula C24H18N4 and a molecular weight of 362.44 g/mol. Its IUPAC name is 4-(1-benzyl-3-pyridin-2-ylpyrazol-4-yl)quinoline.

Molecular Properties

Compound Name4-(1-benzyl-3-pyridin-2-ylpyrazol-4-yl)quinoline
PubChem CID10361281
Molecular FormulaC24H18N4
Molecular Weight362.44 g/mol
Exact Mass362.15
IUPAC Name4-(1-benzyl-3-pyridin-2-ylpyrazol-4-yl)quinoline
SMILESc1ccc(Cn2cc(-c3ccnc4ccccc34)c(-c3ccccn3)n2)cc1
InChIInChI=1S/C24H18N4/c1-2-8-18(9-3-1)16-28-17-21(24(27-28)23-12-6-7-14-25-23)19-13-15-26-22-11-5-4-10-20(19)22/h1-15,17H,16H2
InChIKeyOUGRNXPVTYJQNC-UHFFFAOYSA-N
XLogP5.21
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.44
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1-benzyl-3-pyridin-2-ylpyrazol-4-yl)quinoline?
The IUPAC name of 4-(1-benzyl-3-pyridin-2-ylpyrazol-4-yl)quinoline (CID 10361281) is 4-(1-benzyl-3-pyridin-2-ylpyrazol-4-yl)quinoline.
What is the SMILES notation for 4-(1-benzyl-3-pyridin-2-ylpyrazol-4-yl)quinoline?
The canonical SMILES for 4-(1-benzyl-3-pyridin-2-ylpyrazol-4-yl)quinoline is c1ccc(Cn2cc(-c3ccnc4ccccc34)c(-c3ccccn3)n2)cc1.
What is the InChIKey of 4-(1-benzyl-3-pyridin-2-ylpyrazol-4-yl)quinoline?
The InChIKey is OUGRNXPVTYJQNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4/c1-2-8-18(9-3-1)16-28-17-21(24(27-28)23-12-6-7-14-25-23)19-13-15-26-22-11-5-4-10-20(19)22/h1-15,17H,16H2.
What are the key properties of 4-(1-benzyl-3-pyridin-2-ylpyrazol-4-yl)quinoline?
4-(1-benzyl-3-pyridin-2-ylpyrazol-4-yl)quinoline has a molecular weight of 362.44 g/mol, XLogP of 5.21, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzyl-3-pyridin-2-ylpyrazol-4-yl)quinoline is sourced from PubChem (CID 10361281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).