5-bromo-8-(1H-imidazol-2-ylmethoxymethyl)quinoline

C14H12BrN3O — CID 75454543

IUPAC5-bromo-8-(1H-imidazol-2-ylmethoxymethyl)quinoline
SMILESBrc1ccc(COCc2ncc[nH]2)c2ncccc12
InChIInChI=1S/C14H12BrN3O/c15-12-4-3-10(14-11(12)2-1-5-18-14)8-19-9-13-16-6-7-17-13/h1-7H,8-9H2,(H,16,17)
InChIKeySGQVSYUWDCFAPK-UHFFFAOYSA-N
MW318.17 g/mol
LogP3.44
Rot. Bonds4

About 5-bromo-8-(1H-imidazol-2-ylmethoxymethyl)quinoline

5-bromo-8-(1H-imidazol-2-ylmethoxymethyl)quinoline (PubChem CID 75454543) has the molecular formula C14H12BrN3O and a molecular weight of 318.17 g/mol. Its IUPAC name is 5-bromo-8-(1H-imidazol-2-ylmethoxymethyl)quinoline.

Molecular Properties

Compound Name5-bromo-8-(1H-imidazol-2-ylmethoxymethyl)quinoline
PubChem CID75454543
Molecular FormulaC14H12BrN3O
Molecular Weight318.17 g/mol
Exact Mass317.02
IUPAC Name5-bromo-8-(1H-imidazol-2-ylmethoxymethyl)quinoline
SMILESBrc1ccc(COCc2ncc[nH]2)c2ncccc12
InChIInChI=1S/C14H12BrN3O/c15-12-4-3-10(14-11(12)2-1-5-18-14)8-19-9-13-16-6-7-17-13/h1-7H,8-9H2,(H,16,17)
InChIKeySGQVSYUWDCFAPK-UHFFFAOYSA-N
XLogP3.44
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.17
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-bromoquinolin-8-yl)methoxy-iodophosphane
CID 144950979
8-benzyl-5-bromoquinoline
CID 53421162
1-(5-bromoquinolin-8-yl)-N-[(2-methylpropan-2-yl)oxy]methanamine
CID 112617826
8-(phenylmethoxymethyl)quinolin-5-amine
CID 43376333
N-[(5-bromoquinolin-8-yl)methyl]-1-methylcyclopropan-1-amine
CID 115968174
4-(5-bromoquinolin-8-yl)-N-methylbutan-2-amine
CID 112618640
N-[(5-bromoquinolin-8-yl)methyl]-4-fluoroaniline
CID 115958992
4-[(5-bromoquinolin-8-yl)methylamino]phenol
CID 115959175
4-[[(5-bromoquinolin-8-yl)methylamino]methyl]phenol
CID 115968064
4-bromo-N-[(5-bromoquinolin-8-yl)methyl]aniline
CID 115958989
N-[(5-bromoquinolin-8-yl)methyl]-2-(2-methoxyethoxy)ethanamine
CID 115959258
5-bromo-8-ethoxyquinoline
CID 100612531

Frequently Asked Questions

What is the IUPAC name of 5-bromo-8-(1H-imidazol-2-ylmethoxymethyl)quinoline?
The IUPAC name of 5-bromo-8-(1H-imidazol-2-ylmethoxymethyl)quinoline (CID 75454543) is 5-bromo-8-(1H-imidazol-2-ylmethoxymethyl)quinoline.
What is the SMILES notation for 5-bromo-8-(1H-imidazol-2-ylmethoxymethyl)quinoline?
The canonical SMILES for 5-bromo-8-(1H-imidazol-2-ylmethoxymethyl)quinoline is Brc1ccc(COCc2ncc[nH]2)c2ncccc12.
What is the InChIKey of 5-bromo-8-(1H-imidazol-2-ylmethoxymethyl)quinoline?
The InChIKey is SGQVSYUWDCFAPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3O/c15-12-4-3-10(14-11(12)2-1-5-18-14)8-19-9-13-16-6-7-17-13/h1-7H,8-9H2,(H,16,17).
What are the key properties of 5-bromo-8-(1H-imidazol-2-ylmethoxymethyl)quinoline?
5-bromo-8-(1H-imidazol-2-ylmethoxymethyl)quinoline has a molecular weight of 318.17 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-8-(1H-imidazol-2-ylmethoxymethyl)quinoline is sourced from PubChem (CID 75454543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).