1-benzyl-N-pentylquinolin-4-imine

C21H24N2 — CID 656767

IUPAC1-benzyl-N-pentylquinolin-4-imine
SMILESCCCCC/N=c1\ccn(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C21H24N2/c1-2-3-9-15-22-20-14-16-23(17-18-10-5-4-6-11-18)21-13-8-7-12-19(20)21/h4-8,10-14,16H,2-3,9,15,17H2,1H3/b22-20+
InChIKeyMMGAVKCAGQCFHS-LSDHQDQOSA-N
MW304.44 g/mol
LogP4.78
Rot. Bonds6

About 1-benzyl-N-pentylquinolin-4-imine

1-benzyl-N-pentylquinolin-4-imine (PubChem CID 656767) has the molecular formula C21H24N2 and a molecular weight of 304.44 g/mol. Its IUPAC name is 1-benzyl-N-pentylquinolin-4-imine.

Molecular Properties

Compound Name1-benzyl-N-pentylquinolin-4-imine
PubChem CID656767
Molecular FormulaC21H24N2
Molecular Weight304.44 g/mol
Exact Mass304.19
IUPAC Name1-benzyl-N-pentylquinolin-4-imine
SMILESCCCCC/N=c1\ccn(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C21H24N2/c1-2-3-9-15-22-20-14-16-23(17-18-10-5-4-6-11-18)21-13-8-7-12-19(20)21/h4-8,10-14,16H,2-3,9,15,17H2,1H3/b22-20+
InChIKeyMMGAVKCAGQCFHS-LSDHQDQOSA-N
XLogP4.78
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-pentylquinolin-4-imine?
The IUPAC name of 1-benzyl-N-pentylquinolin-4-imine (CID 656767) is 1-benzyl-N-pentylquinolin-4-imine.
What is the SMILES notation for 1-benzyl-N-pentylquinolin-4-imine?
The canonical SMILES for 1-benzyl-N-pentylquinolin-4-imine is CCCCC/N=c1\ccn(Cc2ccccc2)c2ccccc12.
What is the InChIKey of 1-benzyl-N-pentylquinolin-4-imine?
The InChIKey is MMGAVKCAGQCFHS-LSDHQDQOSA-N. The full InChI is InChI=1S/C21H24N2/c1-2-3-9-15-22-20-14-16-23(17-18-10-5-4-6-11-18)21-13-8-7-12-19(20)21/h4-8,10-14,16H,2-3,9,15,17H2,1H3/b22-20+.
What are the key properties of 1-benzyl-N-pentylquinolin-4-imine?
1-benzyl-N-pentylquinolin-4-imine has a molecular weight of 304.44 g/mol, XLogP of 4.78, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-pentylquinolin-4-imine is sourced from PubChem (CID 656767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).