1-benzyl-N-hexyl-8-methoxyquinolin-4-imine

C23H28N2O — CID 10405481

IUPAC1-benzyl-N-hexyl-8-methoxyquinolin-4-imine
SMILESCCCCCC/N=c1\ccn(Cc2ccccc2)c2c(OC)cccc12
InChIInChI=1S/C23H28N2O/c1-3-4-5-9-16-24-21-15-17-25(18-19-11-7-6-8-12-19)23-20(21)13-10-14-22(23)26-2/h6-8,10-15,17H,3-5,9,16,18H2,1-2H3/b24-21+
InChIKeyCMOFZFSDPKODJD-DARPEHSRSA-N
MW348.49 g/mol
LogP5.18
Rot. Bonds8

About 1-benzyl-N-hexyl-8-methoxyquinolin-4-imine

1-benzyl-N-hexyl-8-methoxyquinolin-4-imine (PubChem CID 10405481) has the molecular formula C23H28N2O and a molecular weight of 348.49 g/mol. Its IUPAC name is 1-benzyl-N-hexyl-8-methoxyquinolin-4-imine.

Molecular Properties

Compound Name1-benzyl-N-hexyl-8-methoxyquinolin-4-imine
PubChem CID10405481
Molecular FormulaC23H28N2O
Molecular Weight348.49 g/mol
Exact Mass348.22
IUPAC Name1-benzyl-N-hexyl-8-methoxyquinolin-4-imine
SMILESCCCCCC/N=c1\ccn(Cc2ccccc2)c2c(OC)cccc12
InChIInChI=1S/C23H28N2O/c1-3-4-5-9-16-24-21-15-17-25(18-19-11-7-6-8-12-19)23-20(21)13-10-14-22(23)26-2/h6-8,10-15,17H,3-5,9,16,18H2,1-2H3/b24-21+
InChIKeyCMOFZFSDPKODJD-DARPEHSRSA-N
XLogP5.18
TPSA26.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.49
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-hexyl-8-methoxyquinolin-4-imine?
The IUPAC name of 1-benzyl-N-hexyl-8-methoxyquinolin-4-imine (CID 10405481) is 1-benzyl-N-hexyl-8-methoxyquinolin-4-imine.
What is the SMILES notation for 1-benzyl-N-hexyl-8-methoxyquinolin-4-imine?
The canonical SMILES for 1-benzyl-N-hexyl-8-methoxyquinolin-4-imine is CCCCCC/N=c1\ccn(Cc2ccccc2)c2c(OC)cccc12.
What is the InChIKey of 1-benzyl-N-hexyl-8-methoxyquinolin-4-imine?
The InChIKey is CMOFZFSDPKODJD-DARPEHSRSA-N. The full InChI is InChI=1S/C23H28N2O/c1-3-4-5-9-16-24-21-15-17-25(18-19-11-7-6-8-12-19)23-20(21)13-10-14-22(23)26-2/h6-8,10-15,17H,3-5,9,16,18H2,1-2H3/b24-21+.
What are the key properties of 1-benzyl-N-hexyl-8-methoxyquinolin-4-imine?
1-benzyl-N-hexyl-8-methoxyquinolin-4-imine has a molecular weight of 348.49 g/mol, XLogP of 5.18, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-hexyl-8-methoxyquinolin-4-imine is sourced from PubChem (CID 10405481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).