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

C19H14BrN3O2 — CID 171763820

IUPAC6-bromo-4-(3-methoxy-5-pyrazol-1-ylphenoxy)quinoline
SMILESCOc1cc(Oc2ccnc3ccc(Br)cc23)cc(-n2cccn2)c1
InChIInChI=1S/C19H14BrN3O2/c1-24-15-10-14(23-8-2-6-22-23)11-16(12-15)25-19-5-7-21-18-4-3-13(20)9-17(18)19/h2-12H,1H3
InChIKeySAEMKRCLEHGZFT-UHFFFAOYSA-N
MW396.24 g/mol
LogP4.98
Rot. Bonds4

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

6-bromo-4-(3-methoxy-5-pyrazol-1-ylphenoxy)quinoline (PubChem CID 171763820) has the molecular formula C19H14BrN3O2 and a molecular weight of 396.24 g/mol. Its IUPAC name is 6-bromo-4-(3-methoxy-5-pyrazol-1-ylphenoxy)quinoline.

Molecular Properties

Compound Name6-bromo-4-(3-methoxy-5-pyrazol-1-ylphenoxy)quinoline
PubChem CID171763820
Molecular FormulaC19H14BrN3O2
Molecular Weight396.24 g/mol
Exact Mass395.03
IUPAC Name6-bromo-4-(3-methoxy-5-pyrazol-1-ylphenoxy)quinoline
SMILESCOc1cc(Oc2ccnc3ccc(Br)cc23)cc(-n2cccn2)c1
InChIInChI=1S/C19H14BrN3O2/c1-24-15-10-14(23-8-2-6-22-23)11-16(12-15)25-19-5-7-21-18-4-3-13(20)9-17(18)19/h2-12H,1H3
InChIKeySAEMKRCLEHGZFT-UHFFFAOYSA-N
XLogP4.98
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.24
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-(3-methoxy-5-pyrazol-1-ylphenoxy)quinoline?
The IUPAC name of 6-bromo-4-(3-methoxy-5-pyrazol-1-ylphenoxy)quinoline (CID 171763820) is 6-bromo-4-(3-methoxy-5-pyrazol-1-ylphenoxy)quinoline.
What is the SMILES notation for 6-bromo-4-(3-methoxy-5-pyrazol-1-ylphenoxy)quinoline?
The canonical SMILES for 6-bromo-4-(3-methoxy-5-pyrazol-1-ylphenoxy)quinoline is COc1cc(Oc2ccnc3ccc(Br)cc23)cc(-n2cccn2)c1.
What is the InChIKey of 6-bromo-4-(3-methoxy-5-pyrazol-1-ylphenoxy)quinoline?
The InChIKey is SAEMKRCLEHGZFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14BrN3O2/c1-24-15-10-14(23-8-2-6-22-23)11-16(12-15)25-19-5-7-21-18-4-3-13(20)9-17(18)19/h2-12H,1H3.
What are the key properties of 6-bromo-4-(3-methoxy-5-pyrazol-1-ylphenoxy)quinoline?
6-bromo-4-(3-methoxy-5-pyrazol-1-ylphenoxy)quinoline has a molecular weight of 396.24 g/mol, XLogP of 4.98, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-(3-methoxy-5-pyrazol-1-ylphenoxy)quinoline is sourced from PubChem (CID 171763820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).