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

C20H17N3O3 — CID 171356477

IUPAC6-methoxy-4-(3-methoxy-5-pyrazol-1-ylphenoxy)quinoline
SMILESCOc1cc(Oc2ccnc3ccc(OC)cc23)cc(-n2cccn2)c1
InChIInChI=1S/C20H17N3O3/c1-24-15-4-5-19-18(13-15)20(6-8-21-19)26-17-11-14(10-16(12-17)25-2)23-9-3-7-22-23/h3-13H,1-2H3
InChIKeyLBQWVJHVFZRNSR-UHFFFAOYSA-N
MW347.37 g/mol
LogP4.23
Rot. Bonds5

About 6-methoxy-4-(3-methoxy-5-pyrazol-1-ylphenoxy)quinoline

6-methoxy-4-(3-methoxy-5-pyrazol-1-ylphenoxy)quinoline (PubChem CID 171356477) has the molecular formula C20H17N3O3 and a molecular weight of 347.37 g/mol. Its IUPAC name is 6-methoxy-4-(3-methoxy-5-pyrazol-1-ylphenoxy)quinoline.

Molecular Properties

Compound Name6-methoxy-4-(3-methoxy-5-pyrazol-1-ylphenoxy)quinoline
PubChem CID171356477
Molecular FormulaC20H17N3O3
Molecular Weight347.37 g/mol
Exact Mass347.13
IUPAC Name6-methoxy-4-(3-methoxy-5-pyrazol-1-ylphenoxy)quinoline
SMILESCOc1cc(Oc2ccnc3ccc(OC)cc23)cc(-n2cccn2)c1
InChIInChI=1S/C20H17N3O3/c1-24-15-4-5-19-18(13-15)20(6-8-21-19)26-17-11-14(10-16(12-17)25-2)23-9-3-7-22-23/h3-13H,1-2H3
InChIKeyLBQWVJHVFZRNSR-UHFFFAOYSA-N
XLogP4.23
TPSA58.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-4-(3-methoxy-5-pyrazol-1-ylphenoxy)quinoline?
The IUPAC name of 6-methoxy-4-(3-methoxy-5-pyrazol-1-ylphenoxy)quinoline (CID 171356477) is 6-methoxy-4-(3-methoxy-5-pyrazol-1-ylphenoxy)quinoline.
What is the SMILES notation for 6-methoxy-4-(3-methoxy-5-pyrazol-1-ylphenoxy)quinoline?
The canonical SMILES for 6-methoxy-4-(3-methoxy-5-pyrazol-1-ylphenoxy)quinoline is COc1cc(Oc2ccnc3ccc(OC)cc23)cc(-n2cccn2)c1.
What is the InChIKey of 6-methoxy-4-(3-methoxy-5-pyrazol-1-ylphenoxy)quinoline?
The InChIKey is LBQWVJHVFZRNSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3/c1-24-15-4-5-19-18(13-15)20(6-8-21-19)26-17-11-14(10-16(12-17)25-2)23-9-3-7-22-23/h3-13H,1-2H3.
What are the key properties of 6-methoxy-4-(3-methoxy-5-pyrazol-1-ylphenoxy)quinoline?
6-methoxy-4-(3-methoxy-5-pyrazol-1-ylphenoxy)quinoline has a molecular weight of 347.37 g/mol, XLogP of 4.23, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-4-(3-methoxy-5-pyrazol-1-ylphenoxy)quinoline is sourced from PubChem (CID 171356477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).