4-[5-methyl-3-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]quinoline

C19H16N4 — CID 10040459

IUPAC4-[5-methyl-3-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]quinoline
SMILESCc1cccc(-c2n[nH]c(C)c2-c2ccnc3ccccc23)n1
InChIInChI=1S/C19H16N4/c1-12-6-5-9-17(21-12)19-18(13(2)22-23-19)15-10-11-20-16-8-4-3-7-14(15)16/h3-11H,1-2H3,(H,22,23)
InChIKeyAMZUNRUJZDTWPE-UHFFFAOYSA-N
MW300.37 g/mol
LogP4.30
Rot. Bonds2

About 4-[5-methyl-3-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]quinoline

4-[5-methyl-3-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]quinoline (PubChem CID 10040459) has the molecular formula C19H16N4 and a molecular weight of 300.37 g/mol. Its IUPAC name is 4-[5-methyl-3-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]quinoline.

Molecular Properties

Compound Name4-[5-methyl-3-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]quinoline
PubChem CID10040459
Molecular FormulaC19H16N4
Molecular Weight300.37 g/mol
Exact Mass300.14
IUPAC Name4-[5-methyl-3-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]quinoline
SMILESCc1cccc(-c2n[nH]c(C)c2-c2ccnc3ccccc23)n1
InChIInChI=1S/C19H16N4/c1-12-6-5-9-17(21-12)19-18(13(2)22-23-19)15-10-11-20-16-8-4-3-7-14(15)16/h3-11H,1-2H3,(H,22,23)
InChIKeyAMZUNRUJZDTWPE-UHFFFAOYSA-N
XLogP4.30
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[5-methyl-3-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]quinoline?
The IUPAC name of 4-[5-methyl-3-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]quinoline (CID 10040459) is 4-[5-methyl-3-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]quinoline.
What is the SMILES notation for 4-[5-methyl-3-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]quinoline?
The canonical SMILES for 4-[5-methyl-3-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]quinoline is Cc1cccc(-c2n[nH]c(C)c2-c2ccnc3ccccc23)n1.
What is the InChIKey of 4-[5-methyl-3-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]quinoline?
The InChIKey is AMZUNRUJZDTWPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4/c1-12-6-5-9-17(21-12)19-18(13(2)22-23-19)15-10-11-20-16-8-4-3-7-14(15)16/h3-11H,1-2H3,(H,22,23).
What are the key properties of 4-[5-methyl-3-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]quinoline?
4-[5-methyl-3-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]quinoline has a molecular weight of 300.37 g/mol, XLogP of 4.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-methyl-3-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]quinoline is sourced from PubChem (CID 10040459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).