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

C20H16BrN3O3 — CID 171763807

IUPAC6-bromo-7-methoxy-4-(3-methoxy-5-pyrazol-1-ylphenoxy)quinoline
SMILESCOc1cc(Oc2ccnc3cc(OC)c(Br)cc23)cc(-n2cccn2)c1
InChIInChI=1S/C20H16BrN3O3/c1-25-14-8-13(24-7-3-5-23-24)9-15(10-14)27-19-4-6-22-18-12-20(26-2)17(21)11-16(18)19/h3-12H,1-2H3
InChIKeyBRUFLKYCOLGCRM-UHFFFAOYSA-N
MW426.27 g/mol
LogP4.99
Rot. Bonds5

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

6-bromo-7-methoxy-4-(3-methoxy-5-pyrazol-1-ylphenoxy)quinoline (PubChem CID 171763807) has the molecular formula C20H16BrN3O3 and a molecular weight of 426.27 g/mol. Its IUPAC name is 6-bromo-7-methoxy-4-(3-methoxy-5-pyrazol-1-ylphenoxy)quinoline.

Molecular Properties

Compound Name6-bromo-7-methoxy-4-(3-methoxy-5-pyrazol-1-ylphenoxy)quinoline
PubChem CID171763807
Molecular FormulaC20H16BrN3O3
Molecular Weight426.27 g/mol
Exact Mass425.04
IUPAC Name6-bromo-7-methoxy-4-(3-methoxy-5-pyrazol-1-ylphenoxy)quinoline
SMILESCOc1cc(Oc2ccnc3cc(OC)c(Br)cc23)cc(-n2cccn2)c1
InChIInChI=1S/C20H16BrN3O3/c1-25-14-8-13(24-7-3-5-23-24)9-15(10-14)27-19-4-6-22-18-12-20(26-2)17(21)11-16(18)19/h3-12H,1-2H3
InChIKeyBRUFLKYCOLGCRM-UHFFFAOYSA-N
XLogP4.99
TPSA58.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.27
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-bromo-4-(3-methoxy-5-pyrazol-1-ylphenoxy)quinoline
CID 171763820
methane;4,6,7-trimethoxyquinoline
CID 157066291
3-methoxy-5-pyrazol-1-ylphenol
CID 165141321
4-(6,7-dimethoxyquinolin-4-yl)oxyaniline;dihydrochloride
CID 118991674
4-ethoxy-7-pyrazol-1-ylquinoline
CID 155778831
4-(6,7-dimethoxyquinolin-4-yl)oxyaniline;methanethiol
CID 165143775
4-(3-acetamido-5-methoxyphenoxy)-7-methoxyquinoline-6-carboxamide
CID 166095714
7-methoxy-4-(3-methoxyphenoxy)-N-methylquinoline-6-carboxamide
CID 69131598
7-iodo-6-methoxy-4-phenoxyquinoline
CID 90048384
6,7-dimethoxy-4-quinolin-3-yloxyquinoline
CID 23078609
7-methoxy-4-[3-methoxy-5-(methylcarbamoyl)phenoxy]quinoline-6-carboxamide
CID 171763786
2-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-1,4-dihydroisoquinolin-3-one
CID 58272759

Frequently Asked Questions

What is the IUPAC name of 6-bromo-7-methoxy-4-(3-methoxy-5-pyrazol-1-ylphenoxy)quinoline?
The IUPAC name of 6-bromo-7-methoxy-4-(3-methoxy-5-pyrazol-1-ylphenoxy)quinoline (CID 171763807) is 6-bromo-7-methoxy-4-(3-methoxy-5-pyrazol-1-ylphenoxy)quinoline.
What is the SMILES notation for 6-bromo-7-methoxy-4-(3-methoxy-5-pyrazol-1-ylphenoxy)quinoline?
The canonical SMILES for 6-bromo-7-methoxy-4-(3-methoxy-5-pyrazol-1-ylphenoxy)quinoline is COc1cc(Oc2ccnc3cc(OC)c(Br)cc23)cc(-n2cccn2)c1.
What is the InChIKey of 6-bromo-7-methoxy-4-(3-methoxy-5-pyrazol-1-ylphenoxy)quinoline?
The InChIKey is BRUFLKYCOLGCRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16BrN3O3/c1-25-14-8-13(24-7-3-5-23-24)9-15(10-14)27-19-4-6-22-18-12-20(26-2)17(21)11-16(18)19/h3-12H,1-2H3.
What are the key properties of 6-bromo-7-methoxy-4-(3-methoxy-5-pyrazol-1-ylphenoxy)quinoline?
6-bromo-7-methoxy-4-(3-methoxy-5-pyrazol-1-ylphenoxy)quinoline has a molecular weight of 426.27 g/mol, XLogP of 4.99, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-7-methoxy-4-(3-methoxy-5-pyrazol-1-ylphenoxy)quinoline is sourced from PubChem (CID 171763807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).