6-bromo-4-(1H-imidazol-5-ylmethoxy)quinoline

C13H10BrN3O — CID 67476143

IUPAC6-bromo-4-(1H-imidazol-5-ylmethoxy)quinoline
SMILESBrc1ccc2nccc(OCc3cnc[nH]3)c2c1
InChIInChI=1S/C13H10BrN3O/c14-9-1-2-12-11(5-9)13(3-4-16-12)18-7-10-6-15-8-17-10/h1-6,8H,7H2,(H,15,17)
InChIKeyMEFYDYMCPXWVCO-UHFFFAOYSA-N
MW304.15 g/mol
LogP3.30
Rot. Bonds3

About 6-bromo-4-(1H-imidazol-5-ylmethoxy)quinoline

6-bromo-4-(1H-imidazol-5-ylmethoxy)quinoline (PubChem CID 67476143) has the molecular formula C13H10BrN3O and a molecular weight of 304.15 g/mol. Its IUPAC name is 6-bromo-4-(1H-imidazol-5-ylmethoxy)quinoline.

Molecular Properties

Compound Name6-bromo-4-(1H-imidazol-5-ylmethoxy)quinoline
PubChem CID67476143
Molecular FormulaC13H10BrN3O
Molecular Weight304.15 g/mol
Exact Mass303.00
IUPAC Name6-bromo-4-(1H-imidazol-5-ylmethoxy)quinoline
SMILESBrc1ccc2nccc(OCc3cnc[nH]3)c2c1
InChIInChI=1S/C13H10BrN3O/c14-9-1-2-12-11(5-9)13(3-4-16-12)18-7-10-6-15-8-17-10/h1-6,8H,7H2,(H,15,17)
InChIKeyMEFYDYMCPXWVCO-UHFFFAOYSA-N
XLogP3.30
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.15
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-(1H-imidazol-5-ylmethoxy)quinoline?
The IUPAC name of 6-bromo-4-(1H-imidazol-5-ylmethoxy)quinoline (CID 67476143) is 6-bromo-4-(1H-imidazol-5-ylmethoxy)quinoline.
What is the SMILES notation for 6-bromo-4-(1H-imidazol-5-ylmethoxy)quinoline?
The canonical SMILES for 6-bromo-4-(1H-imidazol-5-ylmethoxy)quinoline is Brc1ccc2nccc(OCc3cnc[nH]3)c2c1.
What is the InChIKey of 6-bromo-4-(1H-imidazol-5-ylmethoxy)quinoline?
The InChIKey is MEFYDYMCPXWVCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrN3O/c14-9-1-2-12-11(5-9)13(3-4-16-12)18-7-10-6-15-8-17-10/h1-6,8H,7H2,(H,15,17).
What are the key properties of 6-bromo-4-(1H-imidazol-5-ylmethoxy)quinoline?
6-bromo-4-(1H-imidazol-5-ylmethoxy)quinoline has a molecular weight of 304.15 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-(1H-imidazol-5-ylmethoxy)quinoline is sourced from PubChem (CID 67476143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).