2-benzyl-3-methoxyquinoline

C17H15NO — CID 159244403

IUPAC2-benzyl-3-methoxyquinoline
SMILESCOc1cc2ccccc2nc1Cc1ccccc1
InChIInChI=1S/C17H15NO/c1-19-17-12-14-9-5-6-10-15(14)18-16(17)11-13-7-3-2-4-8-13/h2-10,12H,11H2,1H3
InChIKeyKUMQYTGOFKIFEQ-UHFFFAOYSA-N
MW249.31 g/mol
LogP3.83
Rot. Bonds3

About 2-benzyl-3-methoxyquinoline

2-benzyl-3-methoxyquinoline (PubChem CID 159244403) has the molecular formula C17H15NO and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-benzyl-3-methoxyquinoline.

Molecular Properties

Compound Name2-benzyl-3-methoxyquinoline
PubChem CID159244403
Molecular FormulaC17H15NO
Molecular Weight249.31 g/mol
Exact Mass249.12
IUPAC Name2-benzyl-3-methoxyquinoline
SMILESCOc1cc2ccccc2nc1Cc1ccccc1
InChIInChI=1S/C17H15NO/c1-19-17-12-14-9-5-6-10-15(14)18-16(17)11-13-7-3-2-4-8-13/h2-10,12H,11H2,1H3
InChIKeyKUMQYTGOFKIFEQ-UHFFFAOYSA-N
XLogP3.83
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3-methoxyquinoline?
The IUPAC name of 2-benzyl-3-methoxyquinoline (CID 159244403) is 2-benzyl-3-methoxyquinoline.
What is the SMILES notation for 2-benzyl-3-methoxyquinoline?
The canonical SMILES for 2-benzyl-3-methoxyquinoline is COc1cc2ccccc2nc1Cc1ccccc1.
What is the InChIKey of 2-benzyl-3-methoxyquinoline?
The InChIKey is KUMQYTGOFKIFEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO/c1-19-17-12-14-9-5-6-10-15(14)18-16(17)11-13-7-3-2-4-8-13/h2-10,12H,11H2,1H3.
What are the key properties of 2-benzyl-3-methoxyquinoline?
2-benzyl-3-methoxyquinoline has a molecular weight of 249.31 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3-methoxyquinoline is sourced from PubChem (CID 159244403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).