3,4-dibromo-8-(methoxymethyl)quinoline

C11H9Br2NO — CID 114764039

IUPAC3,4-dibromo-8-(methoxymethyl)quinoline
SMILESCOCc1cccc2c(Br)c(Br)cnc12
InChIInChI=1S/C11H9Br2NO/c1-15-6-7-3-2-4-8-10(13)9(12)5-14-11(7)8/h2-5H,6H2,1H3
InChIKeyACQWTLPZUKGQQG-UHFFFAOYSA-N
MW331.01 g/mol
LogP3.91
Rot. Bonds2

About 3,4-dibromo-8-(methoxymethyl)quinoline

3,4-dibromo-8-(methoxymethyl)quinoline (PubChem CID 114764039) has the molecular formula C11H9Br2NO and a molecular weight of 331.01 g/mol. Its IUPAC name is 3,4-dibromo-8-(methoxymethyl)quinoline.

Molecular Properties

Compound Name3,4-dibromo-8-(methoxymethyl)quinoline
PubChem CID114764039
Molecular FormulaC11H9Br2NO
Molecular Weight331.01 g/mol
Exact Mass328.91
IUPAC Name3,4-dibromo-8-(methoxymethyl)quinoline
SMILESCOCc1cccc2c(Br)c(Br)cnc12
InChIInChI=1S/C11H9Br2NO/c1-15-6-7-3-2-4-8-10(13)9(12)5-14-11(7)8/h2-5H,6H2,1H3
InChIKeyACQWTLPZUKGQQG-UHFFFAOYSA-N
XLogP3.91
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.01
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-8-(methoxymethyl)quinolin-3-amine
CID 102614193
2-bromo-3-(methoxymethyl)pyridine;ethane
CID 144882027
1-(methoxymethyl)-2-[2-(methoxymethyl)-6-methylphenoxy]-3-methylbenzene
CID 70193365
4-fluoro-8-(methoxymethyl)isoquinoline
CID 176672593
5-bromo-2-chloro-4-(methoxymethyl)pyridine
CID 142612458
1-[2-bromo-6-(methoxymethyl)phenyl]ethanone
CID 117358994
2,3-dibromo-4-(methoxymethyl)pyridine
CID 86647962
2,8-bis(methoxymethyl)-N-methylquinolin-4-amine
CID 62320086
11-chloro-4-(methoxymethyl)-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline
CID 63351322
[2,6-bis(methoxymethyl)phenyl]methanamine;hydrochloride
CID 19835696
8-bromo-4-methoxy-3-methylquinoline;ethane
CID 144929757
tris(2,6-bis(methoxymethyl)benzenethiol);trihydrofluoride
CID 173023834

Frequently Asked Questions

What is the IUPAC name of 3,4-dibromo-8-(methoxymethyl)quinoline?
The IUPAC name of 3,4-dibromo-8-(methoxymethyl)quinoline (CID 114764039) is 3,4-dibromo-8-(methoxymethyl)quinoline.
What is the SMILES notation for 3,4-dibromo-8-(methoxymethyl)quinoline?
The canonical SMILES for 3,4-dibromo-8-(methoxymethyl)quinoline is COCc1cccc2c(Br)c(Br)cnc12.
What is the InChIKey of 3,4-dibromo-8-(methoxymethyl)quinoline?
The InChIKey is ACQWTLPZUKGQQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Br2NO/c1-15-6-7-3-2-4-8-10(13)9(12)5-14-11(7)8/h2-5H,6H2,1H3.
What are the key properties of 3,4-dibromo-8-(methoxymethyl)quinoline?
3,4-dibromo-8-(methoxymethyl)quinoline has a molecular weight of 331.01 g/mol, XLogP of 3.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dibromo-8-(methoxymethyl)quinoline is sourced from PubChem (CID 114764039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).