3-(5-bromo-2-methoxy-4-pyridinyl)quinoline

C15H11BrN2O — CID 12012242

IUPAC3-(5-bromo-2-methoxy-4-pyridinyl)quinoline
SMILESCOc1cc(-c2cnc3ccccc3c2)c(Br)cn1
InChIInChI=1S/C15H11BrN2O/c1-19-15-7-12(13(16)9-18-15)11-6-10-4-2-3-5-14(10)17-8-11/h2-9H,1H3
InChIKeyJCSGGRVKXIXDME-UHFFFAOYSA-N
MW315.17 g/mol
LogP4.07
Rot. Bonds2

About 3-(5-bromo-2-methoxy-4-pyridinyl)quinoline

3-(5-bromo-2-methoxy-4-pyridinyl)quinoline (PubChem CID 12012242) has the molecular formula C15H11BrN2O and a molecular weight of 315.17 g/mol. Its IUPAC name is 3-(5-bromo-2-methoxy-4-pyridinyl)quinoline.

Molecular Properties

Compound Name3-(5-bromo-2-methoxy-4-pyridinyl)quinoline
PubChem CID12012242
Molecular FormulaC15H11BrN2O
Molecular Weight315.17 g/mol
Exact Mass314.01
IUPAC Name3-(5-bromo-2-methoxy-4-pyridinyl)quinoline
SMILESCOc1cc(-c2cnc3ccccc3c2)c(Br)cn1
InChIInChI=1S/C15H11BrN2O/c1-19-15-7-12(13(16)9-18-15)11-6-10-4-2-3-5-14(10)17-8-11/h2-9H,1H3
InChIKeyJCSGGRVKXIXDME-UHFFFAOYSA-N
XLogP4.07
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.17
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-methoxy-4-(2-methoxy-3-quinolin-3-ylnaphthalen-1-yl)naphthalen-2-yl]quinoline
CID 102419790
3-(6-methoxypyridazin-3-yl)quinoline
CID 72888998
3-(2-methoxypyrimidin-5-yl)quinoline
CID 101347673
3-(2-bromothiophen-3-yl)quinoline
CID 175437139
2-quinolin-3-ylaniline
CID 4134401
3-(5-bromo-4-methoxypyrimidin-2-yl)oxyquinoline
CID 107387714
1-(3,4-dimethoxy-5-quinolin-3-ylphenyl)ethanone
CID 110447723
2-methoxy-3-(2H-triazolo[4,5-b]pyridin-6-yl)quinoline
CID 155911258
4-bromo-2-quinolin-3-yl-1,3-thiazole
CID 79399448
5-bromo-2-methoxy-4-methylpyridine;ethane
CID 145360163
3-methoxy-6-quinolin-3-ylpyridin-2-amine
CID 82556278
3-[3-methyl-2-(2-methylphenyl)phenyl]quinoline
CID 143871396

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-methoxy-4-pyridinyl)quinoline?
The IUPAC name of 3-(5-bromo-2-methoxy-4-pyridinyl)quinoline (CID 12012242) is 3-(5-bromo-2-methoxy-4-pyridinyl)quinoline.
What is the SMILES notation for 3-(5-bromo-2-methoxy-4-pyridinyl)quinoline?
The canonical SMILES for 3-(5-bromo-2-methoxy-4-pyridinyl)quinoline is COc1cc(-c2cnc3ccccc3c2)c(Br)cn1.
What is the InChIKey of 3-(5-bromo-2-methoxy-4-pyridinyl)quinoline?
The InChIKey is JCSGGRVKXIXDME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2O/c1-19-15-7-12(13(16)9-18-15)11-6-10-4-2-3-5-14(10)17-8-11/h2-9H,1H3.
What are the key properties of 3-(5-bromo-2-methoxy-4-pyridinyl)quinoline?
3-(5-bromo-2-methoxy-4-pyridinyl)quinoline has a molecular weight of 315.17 g/mol, XLogP of 4.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2-methoxy-4-pyridinyl)quinoline is sourced from PubChem (CID 12012242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).