4-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]quinoline

C18H14N4 — CID 10469233

IUPAC4-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]quinoline
SMILESCc1cccc(-c2[nH]ncc2-c2ccnc3ccccc23)n1
InChIInChI=1S/C18H14N4/c1-12-5-4-8-17(21-12)18-15(11-20-22-18)13-9-10-19-16-7-3-2-6-14(13)16/h2-11H,1H3,(H,20,22)
InChIKeyKJTYZDORHCDZPS-UHFFFAOYSA-N
MW286.34 g/mol
LogP4.00
Rot. Bonds2

About 4-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]quinoline

4-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]quinoline (PubChem CID 10469233) has the molecular formula C18H14N4 and a molecular weight of 286.34 g/mol. Its IUPAC name is 4-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]quinoline.

Molecular Properties

Compound Name4-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]quinoline
PubChem CID10469233
Molecular FormulaC18H14N4
Molecular Weight286.34 g/mol
Exact Mass286.12
IUPAC Name4-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]quinoline
SMILESCc1cccc(-c2[nH]ncc2-c2ccnc3ccccc23)n1
InChIInChI=1S/C18H14N4/c1-12-5-4-8-17(21-12)18-15(11-20-22-18)13-9-10-19-16-7-3-2-6-14(13)16/h2-11H,1H3,(H,20,22)
InChIKeyKJTYZDORHCDZPS-UHFFFAOYSA-N
XLogP4.00
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]quinoline?
The IUPAC name of 4-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]quinoline (CID 10469233) is 4-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]quinoline.
What is the SMILES notation for 4-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]quinoline?
The canonical SMILES for 4-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]quinoline is Cc1cccc(-c2[nH]ncc2-c2ccnc3ccccc23)n1.
What is the InChIKey of 4-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]quinoline?
The InChIKey is KJTYZDORHCDZPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4/c1-12-5-4-8-17(21-12)18-15(11-20-22-18)13-9-10-19-16-7-3-2-6-14(13)16/h2-11H,1H3,(H,20,22).
What are the key properties of 4-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]quinoline?
4-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]quinoline has a molecular weight of 286.34 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]quinoline is sourced from PubChem (CID 10469233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).