8-[(5-bromo-2-pyridinyl)methoxy]-2-methylquinoline

C16H13BrN2O — CID 104809806

IUPAC8-[(5-bromo-2-pyridinyl)methoxy]-2-methylquinoline
SMILESCc1ccc2cccc(OCc3ccc(Br)cn3)c2n1
InChIInChI=1S/C16H13BrN2O/c1-11-5-6-12-3-2-4-15(16(12)19-11)20-10-14-8-7-13(17)9-18-14/h2-9H,10H2,1H3
InChIKeyKXPGDUVRLYTQMS-UHFFFAOYSA-N
MW329.20 g/mol
LogP4.28
Rot. Bonds3

About 8-[(5-bromo-2-pyridinyl)methoxy]-2-methylquinoline

8-[(5-bromo-2-pyridinyl)methoxy]-2-methylquinoline (PubChem CID 104809806) has the molecular formula C16H13BrN2O and a molecular weight of 329.20 g/mol. Its IUPAC name is 8-[(5-bromo-2-pyridinyl)methoxy]-2-methylquinoline.

Molecular Properties

Compound Name8-[(5-bromo-2-pyridinyl)methoxy]-2-methylquinoline
PubChem CID104809806
Molecular FormulaC16H13BrN2O
Molecular Weight329.20 g/mol
Exact Mass328.02
IUPAC Name8-[(5-bromo-2-pyridinyl)methoxy]-2-methylquinoline
SMILESCc1ccc2cccc(OCc3ccc(Br)cn3)c2n1
InChIInChI=1S/C16H13BrN2O/c1-11-5-6-12-3-2-4-15(16(12)19-11)20-10-14-8-7-13(17)9-18-14/h2-9H,10H2,1H3
InChIKeyKXPGDUVRLYTQMS-UHFFFAOYSA-N
XLogP4.28
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.20
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

8-[(6-ethyl-2-pyridinyl)methoxy]-2-methylquinoline
CID 163741532
3-bromo-2-[(2-methylquinolin-8-yl)oxymethyl]aniline
CID 43352151
8-[(5-bromothiophen-2-yl)methoxy]-2-methylquinoline
CID 63457720
[3-[(2-methylquinolin-8-yl)oxymethyl]-2-pyridinyl]methanamine
CID 62893676
[5-(2-methylquinolin-8-yl)oxy-2-pyridinyl]methanamine
CID 115487171
8-[(3,6-dichloro-2-pyridinyl)methoxy]-2-methylquinoline
CID 62886311
[4-[(2-methylquinolin-8-yl)oxymethyl]-2-pyridinyl]methanamine
CID 63887490
tris[(2-methylquinolin-8-yl)oxy]gallane
CID 59002282
8-[(4-chloro-6-methylpyrimidin-2-yl)methoxy]-2-methylquinoline
CID 80656920
2-methyl-8-[[4-(trifluoromethyl)phenyl]methoxy]quinoline
CID 67980760
(2R)-1-(2-methylquinolin-8-yl)oxypropan-2-ol
CID 70983446
(2-methylquinolin-8-yl) 5-bromo-2-ethoxybenzenesulfonate
CID 91669650

Frequently Asked Questions

What is the IUPAC name of 8-[(5-bromo-2-pyridinyl)methoxy]-2-methylquinoline?
The IUPAC name of 8-[(5-bromo-2-pyridinyl)methoxy]-2-methylquinoline (CID 104809806) is 8-[(5-bromo-2-pyridinyl)methoxy]-2-methylquinoline.
What is the SMILES notation for 8-[(5-bromo-2-pyridinyl)methoxy]-2-methylquinoline?
The canonical SMILES for 8-[(5-bromo-2-pyridinyl)methoxy]-2-methylquinoline is Cc1ccc2cccc(OCc3ccc(Br)cn3)c2n1.
What is the InChIKey of 8-[(5-bromo-2-pyridinyl)methoxy]-2-methylquinoline?
The InChIKey is KXPGDUVRLYTQMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2O/c1-11-5-6-12-3-2-4-15(16(12)19-11)20-10-14-8-7-13(17)9-18-14/h2-9H,10H2,1H3.
What are the key properties of 8-[(5-bromo-2-pyridinyl)methoxy]-2-methylquinoline?
8-[(5-bromo-2-pyridinyl)methoxy]-2-methylquinoline has a molecular weight of 329.20 g/mol, XLogP of 4.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(5-bromo-2-pyridinyl)methoxy]-2-methylquinoline is sourced from PubChem (CID 104809806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).