3-benzyl-2-methoxyquinolin-6-amine

C17H16N2O — CID 89382681

IUPAC3-benzyl-2-methoxyquinolin-6-amine
SMILESCOc1nc2ccc(N)cc2cc1Cc1ccccc1
InChIInChI=1S/C17H16N2O/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,9,18H2,1H3
InChIKeyQFLQUIQGCBEJAO-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.42
Rot. Bonds3

About 3-benzyl-2-methoxyquinolin-6-amine

3-benzyl-2-methoxyquinolin-6-amine (PubChem CID 89382681) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is 3-benzyl-2-methoxyquinolin-6-amine.

Molecular Properties

Compound Name3-benzyl-2-methoxyquinolin-6-amine
PubChem CID89382681
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name3-benzyl-2-methoxyquinolin-6-amine
SMILESCOc1nc2ccc(N)cc2cc1Cc1ccccc1
InChIInChI=1S/C17H16N2O/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,9,18H2,1H3
InChIKeyQFLQUIQGCBEJAO-UHFFFAOYSA-N
XLogP3.42
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-2-methoxyquinolin-6-amine?
The IUPAC name of 3-benzyl-2-methoxyquinolin-6-amine (CID 89382681) is 3-benzyl-2-methoxyquinolin-6-amine.
What is the SMILES notation for 3-benzyl-2-methoxyquinolin-6-amine?
The canonical SMILES for 3-benzyl-2-methoxyquinolin-6-amine is COc1nc2ccc(N)cc2cc1Cc1ccccc1.
What is the InChIKey of 3-benzyl-2-methoxyquinolin-6-amine?
The InChIKey is QFLQUIQGCBEJAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/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,9,18H2,1H3.
What are the key properties of 3-benzyl-2-methoxyquinolin-6-amine?
3-benzyl-2-methoxyquinolin-6-amine has a molecular weight of 264.33 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-2-methoxyquinolin-6-amine is sourced from PubChem (CID 89382681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).