2-[[6-(1-methyl-4-phenylpyrazol-3-yl)-3-pyridinyl]oxymethyl]quinoline

C25H20N4O — CID 24830183

IUPAC2-[[6-(1-methyl-4-phenylpyrazol-3-yl)-3-pyridinyl]oxymethyl]quinoline
SMILESCn1cc(-c2ccccc2)c(-c2ccc(OCc3ccc4ccccc4n3)cn2)n1
InChIInChI=1S/C25H20N4O/c1-29-16-22(18-7-3-2-4-8-18)25(28-29)24-14-13-21(15-26-24)30-17-20-12-11-19-9-5-6-10-23(19)27-20/h2-16H,17H2,1H3
InChIKeyAAWBMDJTDXDLQX-UHFFFAOYSA-N
MW392.46 g/mol
LogP5.28
Rot. Bonds5

About 2-[[6-(1-methyl-4-phenylpyrazol-3-yl)-3-pyridinyl]oxymethyl]quinoline

2-[[6-(1-methyl-4-phenylpyrazol-3-yl)-3-pyridinyl]oxymethyl]quinoline (PubChem CID 24830183) has the molecular formula C25H20N4O and a molecular weight of 392.46 g/mol. Its IUPAC name is 2-[[6-(1-methyl-4-phenylpyrazol-3-yl)-3-pyridinyl]oxymethyl]quinoline.

Molecular Properties

Compound Name2-[[6-(1-methyl-4-phenylpyrazol-3-yl)-3-pyridinyl]oxymethyl]quinoline
PubChem CID24830183
Molecular FormulaC25H20N4O
Molecular Weight392.46 g/mol
Exact Mass392.16
IUPAC Name2-[[6-(1-methyl-4-phenylpyrazol-3-yl)-3-pyridinyl]oxymethyl]quinoline
SMILESCn1cc(-c2ccccc2)c(-c2ccc(OCc3ccc4ccccc4n3)cn2)n1
InChIInChI=1S/C25H20N4O/c1-29-16-22(18-7-3-2-4-8-18)25(28-29)24-14-13-21(15-26-24)30-17-20-12-11-19-9-5-6-10-23(19)27-20/h2-16H,17H2,1H3
InChIKeyAAWBMDJTDXDLQX-UHFFFAOYSA-N
XLogP5.28
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.46
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-(1-methyl-4-phenylpyrazol-3-yl)-3-pyridinyl]oxymethyl]quinoline?
The IUPAC name of 2-[[6-(1-methyl-4-phenylpyrazol-3-yl)-3-pyridinyl]oxymethyl]quinoline (CID 24830183) is 2-[[6-(1-methyl-4-phenylpyrazol-3-yl)-3-pyridinyl]oxymethyl]quinoline.
What is the SMILES notation for 2-[[6-(1-methyl-4-phenylpyrazol-3-yl)-3-pyridinyl]oxymethyl]quinoline?
The canonical SMILES for 2-[[6-(1-methyl-4-phenylpyrazol-3-yl)-3-pyridinyl]oxymethyl]quinoline is Cn1cc(-c2ccccc2)c(-c2ccc(OCc3ccc4ccccc4n3)cn2)n1.
What is the InChIKey of 2-[[6-(1-methyl-4-phenylpyrazol-3-yl)-3-pyridinyl]oxymethyl]quinoline?
The InChIKey is AAWBMDJTDXDLQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4O/c1-29-16-22(18-7-3-2-4-8-18)25(28-29)24-14-13-21(15-26-24)30-17-20-12-11-19-9-5-6-10-23(19)27-20/h2-16H,17H2,1H3.
What are the key properties of 2-[[6-(1-methyl-4-phenylpyrazol-3-yl)-3-pyridinyl]oxymethyl]quinoline?
2-[[6-(1-methyl-4-phenylpyrazol-3-yl)-3-pyridinyl]oxymethyl]quinoline has a molecular weight of 392.46 g/mol, XLogP of 5.28, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(1-methyl-4-phenylpyrazol-3-yl)-3-pyridinyl]oxymethyl]quinoline is sourced from PubChem (CID 24830183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).