6-bromo-3-[2-(1-methylpyrazol-4-yl)ethoxy]quinoline

C15H14BrN3O — CID 136532737

IUPAC6-bromo-3-[2-(1-methylpyrazol-4-yl)ethoxy]quinoline
SMILESCn1cc(CCOc2cnc3ccc(Br)cc3c2)cn1
InChIInChI=1S/C15H14BrN3O/c1-19-10-11(8-18-19)4-5-20-14-7-12-6-13(16)2-3-15(12)17-9-14/h2-3,6-10H,4-5H2,1H3
InChIKeyMGOLUKXQYMEJJG-UHFFFAOYSA-N
MW332.20 g/mol
LogP3.35
Rot. Bonds4

About 6-bromo-3-[2-(1-methylpyrazol-4-yl)ethoxy]quinoline

6-bromo-3-[2-(1-methylpyrazol-4-yl)ethoxy]quinoline (PubChem CID 136532737) has the molecular formula C15H14BrN3O and a molecular weight of 332.20 g/mol. Its IUPAC name is 6-bromo-3-[2-(1-methylpyrazol-4-yl)ethoxy]quinoline.

Molecular Properties

Compound Name6-bromo-3-[2-(1-methylpyrazol-4-yl)ethoxy]quinoline
PubChem CID136532737
Molecular FormulaC15H14BrN3O
Molecular Weight332.20 g/mol
Exact Mass331.03
IUPAC Name6-bromo-3-[2-(1-methylpyrazol-4-yl)ethoxy]quinoline
SMILESCn1cc(CCOc2cnc3ccc(Br)cc3c2)cn1
InChIInChI=1S/C15H14BrN3O/c1-19-10-11(8-18-19)4-5-20-14-7-12-6-13(16)2-3-15(12)17-9-14/h2-3,6-10H,4-5H2,1H3
InChIKeyMGOLUKXQYMEJJG-UHFFFAOYSA-N
XLogP3.35
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.20
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-bromo-5-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanamine
CID 102999884
5-bromo-2-[2-(1-methylpyrazol-4-yl)ethoxy]benzenesulfonyl chloride
CID 103000419
1-(6-bromonaphthalen-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-one
CID 103023893
2-[4-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]ethanol
CID 103844540
5-bromo-2-fluoro-3-[2-(1-methylpyrazol-4-yl)ethoxy]pyridine
CID 167971668
4-[2-(4-fluoro-3-methylphenoxy)ethyl]-1-methylpyrazole
CID 103792119
1-[4-bromo-2-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]-N-ethylethanamine
CID 103000046
trifluoro-[2-fluoro-4-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]boranuide
CID 103003926
2-(6-bromoquinolin-3-yl)oxyacetic acid
CID 171649153
[3,5-dibromo-4-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanol
CID 107739097
1-[2-bromo-5-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]butan-2-amine
CID 103013194
4-[(3-bromophenoxy)methyl]-1-methylpyrazole
CID 28782443

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-[2-(1-methylpyrazol-4-yl)ethoxy]quinoline?
The IUPAC name of 6-bromo-3-[2-(1-methylpyrazol-4-yl)ethoxy]quinoline (CID 136532737) is 6-bromo-3-[2-(1-methylpyrazol-4-yl)ethoxy]quinoline.
What is the SMILES notation for 6-bromo-3-[2-(1-methylpyrazol-4-yl)ethoxy]quinoline?
The canonical SMILES for 6-bromo-3-[2-(1-methylpyrazol-4-yl)ethoxy]quinoline is Cn1cc(CCOc2cnc3ccc(Br)cc3c2)cn1.
What is the InChIKey of 6-bromo-3-[2-(1-methylpyrazol-4-yl)ethoxy]quinoline?
The InChIKey is MGOLUKXQYMEJJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3O/c1-19-10-11(8-18-19)4-5-20-14-7-12-6-13(16)2-3-15(12)17-9-14/h2-3,6-10H,4-5H2,1H3.
What are the key properties of 6-bromo-3-[2-(1-methylpyrazol-4-yl)ethoxy]quinoline?
6-bromo-3-[2-(1-methylpyrazol-4-yl)ethoxy]quinoline has a molecular weight of 332.20 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-[2-(1-methylpyrazol-4-yl)ethoxy]quinoline is sourced from PubChem (CID 136532737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).