4-(3-methoxy-5-pyrazol-1-ylphenoxy)quinoline

C19H15N3O2 — CID 171351295

IUPAC4-(3-methoxy-5-pyrazol-1-ylphenoxy)quinoline
SMILESCOc1cc(Oc2ccnc3ccccc23)cc(-n2cccn2)c1
InChIInChI=1S/C19H15N3O2/c1-23-15-11-14(22-10-4-8-21-22)12-16(13-15)24-19-7-9-20-18-6-3-2-5-17(18)19/h2-13H,1H3
InChIKeyGROZLUGXTULRLN-UHFFFAOYSA-N
MW317.35 g/mol
LogP4.22
Rot. Bonds4

About 4-(3-methoxy-5-pyrazol-1-ylphenoxy)quinoline

4-(3-methoxy-5-pyrazol-1-ylphenoxy)quinoline (PubChem CID 171351295) has the molecular formula C19H15N3O2 and a molecular weight of 317.35 g/mol. Its IUPAC name is 4-(3-methoxy-5-pyrazol-1-ylphenoxy)quinoline.

Molecular Properties

Compound Name4-(3-methoxy-5-pyrazol-1-ylphenoxy)quinoline
PubChem CID171351295
Molecular FormulaC19H15N3O2
Molecular Weight317.35 g/mol
Exact Mass317.12
IUPAC Name4-(3-methoxy-5-pyrazol-1-ylphenoxy)quinoline
SMILESCOc1cc(Oc2ccnc3ccccc23)cc(-n2cccn2)c1
InChIInChI=1S/C19H15N3O2/c1-23-15-11-14(22-10-4-8-21-22)12-16(13-15)24-19-7-9-20-18-6-3-2-5-17(18)19/h2-13H,1H3
InChIKeyGROZLUGXTULRLN-UHFFFAOYSA-N
XLogP4.22
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxy-5-pyrazol-1-ylphenoxy)quinoline?
The IUPAC name of 4-(3-methoxy-5-pyrazol-1-ylphenoxy)quinoline (CID 171351295) is 4-(3-methoxy-5-pyrazol-1-ylphenoxy)quinoline.
What is the SMILES notation for 4-(3-methoxy-5-pyrazol-1-ylphenoxy)quinoline?
The canonical SMILES for 4-(3-methoxy-5-pyrazol-1-ylphenoxy)quinoline is COc1cc(Oc2ccnc3ccccc23)cc(-n2cccn2)c1.
What is the InChIKey of 4-(3-methoxy-5-pyrazol-1-ylphenoxy)quinoline?
The InChIKey is GROZLUGXTULRLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O2/c1-23-15-11-14(22-10-4-8-21-22)12-16(13-15)24-19-7-9-20-18-6-3-2-5-17(18)19/h2-13H,1H3.
What are the key properties of 4-(3-methoxy-5-pyrazol-1-ylphenoxy)quinoline?
4-(3-methoxy-5-pyrazol-1-ylphenoxy)quinoline has a molecular weight of 317.35 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxy-5-pyrazol-1-ylphenoxy)quinoline is sourced from PubChem (CID 171351295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).