8-[(5-bromo-4-methyl-2-pyridinyl)oxy]-2-methylquinoline

C16H13BrN2O — CID 114870685

IUPAC8-[(5-bromo-4-methyl-2-pyridinyl)oxy]-2-methylquinoline
SMILESCc1ccc2cccc(Oc3cc(C)c(Br)cn3)c2n1
InChIInChI=1S/C16H13BrN2O/c1-10-8-15(18-9-13(10)17)20-14-5-3-4-12-7-6-11(2)19-16(12)14/h3-9H,1-2H3
InChIKeyMBUQNGYGGJJGBW-UHFFFAOYSA-N
MW329.20 g/mol
LogP4.80
Rot. Bonds2

About 8-[(5-bromo-4-methyl-2-pyridinyl)oxy]-2-methylquinoline

8-[(5-bromo-4-methyl-2-pyridinyl)oxy]-2-methylquinoline (PubChem CID 114870685) has the molecular formula C16H13BrN2O and a molecular weight of 329.20 g/mol. Its IUPAC name is 8-[(5-bromo-4-methyl-2-pyridinyl)oxy]-2-methylquinoline.

Molecular Properties

Compound Name8-[(5-bromo-4-methyl-2-pyridinyl)oxy]-2-methylquinoline
PubChem CID114870685
Molecular FormulaC16H13BrN2O
Molecular Weight329.20 g/mol
Exact Mass328.02
IUPAC Name8-[(5-bromo-4-methyl-2-pyridinyl)oxy]-2-methylquinoline
SMILESCc1ccc2cccc(Oc3cc(C)c(Br)cn3)c2n1
InChIInChI=1S/C16H13BrN2O/c1-10-8-15(18-9-13(10)17)20-14-5-3-4-12-7-6-11(2)19-16(12)14/h3-9H,1-2H3
InChIKeyMBUQNGYGGJJGBW-UHFFFAOYSA-N
XLogP4.80
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.20
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-[(5-bromo-4-methyl-2-pyridinyl)oxy]-2-methylquinoline?
The IUPAC name of 8-[(5-bromo-4-methyl-2-pyridinyl)oxy]-2-methylquinoline (CID 114870685) is 8-[(5-bromo-4-methyl-2-pyridinyl)oxy]-2-methylquinoline.
What is the SMILES notation for 8-[(5-bromo-4-methyl-2-pyridinyl)oxy]-2-methylquinoline?
The canonical SMILES for 8-[(5-bromo-4-methyl-2-pyridinyl)oxy]-2-methylquinoline is Cc1ccc2cccc(Oc3cc(C)c(Br)cn3)c2n1.
What is the InChIKey of 8-[(5-bromo-4-methyl-2-pyridinyl)oxy]-2-methylquinoline?
The InChIKey is MBUQNGYGGJJGBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2O/c1-10-8-15(18-9-13(10)17)20-14-5-3-4-12-7-6-11(2)19-16(12)14/h3-9H,1-2H3.
What are the key properties of 8-[(5-bromo-4-methyl-2-pyridinyl)oxy]-2-methylquinoline?
8-[(5-bromo-4-methyl-2-pyridinyl)oxy]-2-methylquinoline has a molecular weight of 329.20 g/mol, XLogP of 4.80, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(5-bromo-4-methyl-2-pyridinyl)oxy]-2-methylquinoline is sourced from PubChem (CID 114870685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).