8-[(5-bromo-2-methylphenoxy)methyl]quinoline

C17H14BrNO — CID 107283970

IUPAC8-[(5-bromo-2-methylphenoxy)methyl]quinoline
SMILESCc1ccc(Br)cc1OCc1cccc2cccnc12
InChIInChI=1S/C17H14BrNO/c1-12-7-8-15(18)10-16(12)20-11-14-5-2-4-13-6-3-9-19-17(13)14/h2-10H,11H2,1H3
InChIKeyGKMLEXMWJGFDMD-UHFFFAOYSA-N
MW328.21 g/mol
LogP4.88
Rot. Bonds3

About 8-[(5-bromo-2-methylphenoxy)methyl]quinoline

8-[(5-bromo-2-methylphenoxy)methyl]quinoline (PubChem CID 107283970) has the molecular formula C17H14BrNO and a molecular weight of 328.21 g/mol. Its IUPAC name is 8-[(5-bromo-2-methylphenoxy)methyl]quinoline.

Molecular Properties

Compound Name8-[(5-bromo-2-methylphenoxy)methyl]quinoline
PubChem CID107283970
Molecular FormulaC17H14BrNO
Molecular Weight328.21 g/mol
Exact Mass327.03
IUPAC Name8-[(5-bromo-2-methylphenoxy)methyl]quinoline
SMILESCc1ccc(Br)cc1OCc1cccc2cccnc12
InChIInChI=1S/C17H14BrNO/c1-12-7-8-15(18)10-16(12)20-11-14-5-2-4-13-6-3-9-19-17(13)14/h2-10H,11H2,1H3
InChIKeyGKMLEXMWJGFDMD-UHFFFAOYSA-N
XLogP4.88
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[3-[(5-bromo-2-methylphenoxy)methyl]-2-pyridinyl]hydrazine
CID 107285501
8-[(4-bromophenoxy)methyl]quinoline
CID 28775084
4-methyl-2-(quinolin-8-ylmethoxy)aniline
CID 28773261
8-[[2-(chloromethyl)-4-methylphenoxy]methyl]quinoline
CID 63325423
1-[(5-bromo-2-methylphenoxy)methyl]-2-chloro-3-fluorobenzene
CID 107284217
8-[[6,13,20-trimethoxy-12,19-bis(quinolin-8-ylmethoxy)-5-tetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3,5,7,10,12,14,17,19-nonaenyl]oxymethyl]quinoline
CID 11285895
3-bromo-5-(quinolin-8-ylmethoxy)aniline
CID 103588108
4-[(5-bromo-2-methylphenoxy)methyl]-2-methylquinoline
CID 107284170
8-[(2-chlorophenoxy)methyl]quinoline
CID 60705460
(3R)-3,4-dimethyl-7-(quinolin-8-ylmethoxy)-2,3-dihydroinden-1-one
CID 33100645
1-[4-methoxy-2-(quinolin-8-ylmethoxy)phenyl]ethanone
CID 33079900
4-methyl-2-(quinolin-8-ylmethoxy)benzamide
CID 17419396

Frequently Asked Questions

What is the IUPAC name of 8-[(5-bromo-2-methylphenoxy)methyl]quinoline?
The IUPAC name of 8-[(5-bromo-2-methylphenoxy)methyl]quinoline (CID 107283970) is 8-[(5-bromo-2-methylphenoxy)methyl]quinoline.
What is the SMILES notation for 8-[(5-bromo-2-methylphenoxy)methyl]quinoline?
The canonical SMILES for 8-[(5-bromo-2-methylphenoxy)methyl]quinoline is Cc1ccc(Br)cc1OCc1cccc2cccnc12.
What is the InChIKey of 8-[(5-bromo-2-methylphenoxy)methyl]quinoline?
The InChIKey is GKMLEXMWJGFDMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrNO/c1-12-7-8-15(18)10-16(12)20-11-14-5-2-4-13-6-3-9-19-17(13)14/h2-10H,11H2,1H3.
What are the key properties of 8-[(5-bromo-2-methylphenoxy)methyl]quinoline?
8-[(5-bromo-2-methylphenoxy)methyl]quinoline has a molecular weight of 328.21 g/mol, XLogP of 4.88, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(5-bromo-2-methylphenoxy)methyl]quinoline is sourced from PubChem (CID 107283970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).