3-benzyl-6-bromo-2-methoxyquinoline

C17H14BrNO — CID 11667032

IUPAC3-benzyl-6-bromo-2-methoxyquinoline
SMILESCOc1nc2ccc(Br)cc2cc1Cc1ccccc1
InChIInChI=1S/C17H14BrNO/c1-20-17-14(9-12-5-3-2-4-6-12)10-13-11-15(18)7-8-16(13)19-17/h2-8,10-11H,9H2,1H3
InChIKeyWMFHVNYOCKTDMX-UHFFFAOYSA-N
MW328.21 g/mol
LogP4.60
Rot. Bonds3

About 3-benzyl-6-bromo-2-methoxyquinoline

3-benzyl-6-bromo-2-methoxyquinoline (PubChem CID 11667032) has the molecular formula C17H14BrNO and a molecular weight of 328.21 g/mol. Its IUPAC name is 3-benzyl-6-bromo-2-methoxyquinoline.

Molecular Properties

Compound Name3-benzyl-6-bromo-2-methoxyquinoline
PubChem CID11667032
Molecular FormulaC17H14BrNO
Molecular Weight328.21 g/mol
Exact Mass327.03
IUPAC Name3-benzyl-6-bromo-2-methoxyquinoline
SMILESCOc1nc2ccc(Br)cc2cc1Cc1ccccc1
InChIInChI=1S/C17H14BrNO/c1-20-17-14(9-12-5-3-2-4-6-12)10-13-11-15(18)7-8-16(13)19-17/h2-8,10-11H,9H2,1H3
InChIKeyWMFHVNYOCKTDMX-UHFFFAOYSA-N
XLogP4.60
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 ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-6-bromo-2-methoxyquinoline?
The IUPAC name of 3-benzyl-6-bromo-2-methoxyquinoline (CID 11667032) is 3-benzyl-6-bromo-2-methoxyquinoline.
What is the SMILES notation for 3-benzyl-6-bromo-2-methoxyquinoline?
The canonical SMILES for 3-benzyl-6-bromo-2-methoxyquinoline is COc1nc2ccc(Br)cc2cc1Cc1ccccc1.
What is the InChIKey of 3-benzyl-6-bromo-2-methoxyquinoline?
The InChIKey is WMFHVNYOCKTDMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrNO/c1-20-17-14(9-12-5-3-2-4-6-12)10-13-11-15(18)7-8-16(13)19-17/h2-8,10-11H,9H2,1H3.
What are the key properties of 3-benzyl-6-bromo-2-methoxyquinoline?
3-benzyl-6-bromo-2-methoxyquinoline has a molecular weight of 328.21 g/mol, XLogP of 4.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-6-bromo-2-methoxyquinoline is sourced from PubChem (CID 11667032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).