6,7-dimethoxy-4-(3-methoxy-5-pyrazol-1-ylphenoxy)quinoline

C21H19N3O4 — CID 171346708

IUPAC6,7-dimethoxy-4-(3-methoxy-5-pyrazol-1-ylphenoxy)quinoline
SMILESCOc1cc(Oc2ccnc3cc(OC)c(OC)cc23)cc(-n2cccn2)c1
InChIInChI=1S/C21H19N3O4/c1-25-15-9-14(24-8-4-6-23-24)10-16(11-15)28-19-5-7-22-18-13-21(27-3)20(26-2)12-17(18)19/h4-13H,1-3H3
InChIKeyPUQYEXQLBYQVEV-UHFFFAOYSA-N
MW377.40 g/mol
LogP4.24
Rot. Bonds6

About 6,7-dimethoxy-4-(3-methoxy-5-pyrazol-1-ylphenoxy)quinoline

6,7-dimethoxy-4-(3-methoxy-5-pyrazol-1-ylphenoxy)quinoline (PubChem CID 171346708) has the molecular formula C21H19N3O4 and a molecular weight of 377.40 g/mol. Its IUPAC name is 6,7-dimethoxy-4-(3-methoxy-5-pyrazol-1-ylphenoxy)quinoline.

Molecular Properties

Compound Name6,7-dimethoxy-4-(3-methoxy-5-pyrazol-1-ylphenoxy)quinoline
PubChem CID171346708
Molecular FormulaC21H19N3O4
Molecular Weight377.40 g/mol
Exact Mass377.14
IUPAC Name6,7-dimethoxy-4-(3-methoxy-5-pyrazol-1-ylphenoxy)quinoline
SMILESCOc1cc(Oc2ccnc3cc(OC)c(OC)cc23)cc(-n2cccn2)c1
InChIInChI=1S/C21H19N3O4/c1-25-15-9-14(24-8-4-6-23-24)10-16(11-15)28-19-5-7-22-18-13-21(27-3)20(26-2)12-17(18)19/h4-13H,1-3H3
InChIKeyPUQYEXQLBYQVEV-UHFFFAOYSA-N
XLogP4.24
TPSA67.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-4-(3-methoxy-5-pyrazol-1-ylphenoxy)quinoline?
The IUPAC name of 6,7-dimethoxy-4-(3-methoxy-5-pyrazol-1-ylphenoxy)quinoline (CID 171346708) is 6,7-dimethoxy-4-(3-methoxy-5-pyrazol-1-ylphenoxy)quinoline.
What is the SMILES notation for 6,7-dimethoxy-4-(3-methoxy-5-pyrazol-1-ylphenoxy)quinoline?
The canonical SMILES for 6,7-dimethoxy-4-(3-methoxy-5-pyrazol-1-ylphenoxy)quinoline is COc1cc(Oc2ccnc3cc(OC)c(OC)cc23)cc(-n2cccn2)c1.
What is the InChIKey of 6,7-dimethoxy-4-(3-methoxy-5-pyrazol-1-ylphenoxy)quinoline?
The InChIKey is PUQYEXQLBYQVEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O4/c1-25-15-9-14(24-8-4-6-23-24)10-16(11-15)28-19-5-7-22-18-13-21(27-3)20(26-2)12-17(18)19/h4-13H,1-3H3.
What are the key properties of 6,7-dimethoxy-4-(3-methoxy-5-pyrazol-1-ylphenoxy)quinoline?
6,7-dimethoxy-4-(3-methoxy-5-pyrazol-1-ylphenoxy)quinoline has a molecular weight of 377.40 g/mol, XLogP of 4.24, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-4-(3-methoxy-5-pyrazol-1-ylphenoxy)quinoline is sourced from PubChem (CID 171346708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).