7-chloro-1-[(3,4-dichlorophenyl)methyl]-N-hexylquinolin-4-imine

C22H23Cl3N2 — CID 23276937

IUPAC7-chloro-1-[(3,4-dichlorophenyl)methyl]-N-hexylquinolin-4-imine
SMILESCCCCCC/N=c1\ccn(Cc2ccc(Cl)c(Cl)c2)c2cc(Cl)ccc12
InChIInChI=1S/C22H23Cl3N2/c1-2-3-4-5-11-26-21-10-12-27(22-14-17(23)7-8-18(21)22)15-16-6-9-19(24)20(25)13-16/h6-10,12-14H,2-5,11,15H2,1H3/b26-21+
InChIKeyCUANNXXZFGNFRJ-YYADALCUSA-N
MW421.80 g/mol
LogP7.13
Rot. Bonds7

About 7-chloro-1-[(3,4-dichlorophenyl)methyl]-N-hexylquinolin-4-imine

7-chloro-1-[(3,4-dichlorophenyl)methyl]-N-hexylquinolin-4-imine (PubChem CID 23276937) has the molecular formula C22H23Cl3N2 and a molecular weight of 421.80 g/mol. Its IUPAC name is 7-chloro-1-[(3,4-dichlorophenyl)methyl]-N-hexylquinolin-4-imine.

Molecular Properties

Compound Name7-chloro-1-[(3,4-dichlorophenyl)methyl]-N-hexylquinolin-4-imine
PubChem CID23276937
Molecular FormulaC22H23Cl3N2
Molecular Weight421.80 g/mol
Exact Mass420.09
IUPAC Name7-chloro-1-[(3,4-dichlorophenyl)methyl]-N-hexylquinolin-4-imine
SMILESCCCCCC/N=c1\ccn(Cc2ccc(Cl)c(Cl)c2)c2cc(Cl)ccc12
InChIInChI=1S/C22H23Cl3N2/c1-2-3-4-5-11-26-21-10-12-27(22-14-17(23)7-8-18(21)22)15-16-6-9-19(24)20(25)13-16/h6-10,12-14H,2-5,11,15H2,1H3/b26-21+
InChIKeyCUANNXXZFGNFRJ-YYADALCUSA-N
XLogP7.13
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.80
LogP ≤ 57.13
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 7-chloro-1-[(3,4-dichlorophenyl)methyl]-N-hexylquinolin-4-imine?
The IUPAC name of 7-chloro-1-[(3,4-dichlorophenyl)methyl]-N-hexylquinolin-4-imine (CID 23276937) is 7-chloro-1-[(3,4-dichlorophenyl)methyl]-N-hexylquinolin-4-imine.
What is the SMILES notation for 7-chloro-1-[(3,4-dichlorophenyl)methyl]-N-hexylquinolin-4-imine?
The canonical SMILES for 7-chloro-1-[(3,4-dichlorophenyl)methyl]-N-hexylquinolin-4-imine is CCCCCC/N=c1\ccn(Cc2ccc(Cl)c(Cl)c2)c2cc(Cl)ccc12.
What is the InChIKey of 7-chloro-1-[(3,4-dichlorophenyl)methyl]-N-hexylquinolin-4-imine?
The InChIKey is CUANNXXZFGNFRJ-YYADALCUSA-N. The full InChI is InChI=1S/C22H23Cl3N2/c1-2-3-4-5-11-26-21-10-12-27(22-14-17(23)7-8-18(21)22)15-16-6-9-19(24)20(25)13-16/h6-10,12-14H,2-5,11,15H2,1H3/b26-21+.
What are the key properties of 7-chloro-1-[(3,4-dichlorophenyl)methyl]-N-hexylquinolin-4-imine?
7-chloro-1-[(3,4-dichlorophenyl)methyl]-N-hexylquinolin-4-imine has a molecular weight of 421.80 g/mol, XLogP of 7.13, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-[(3,4-dichlorophenyl)methyl]-N-hexylquinolin-4-imine is sourced from PubChem (CID 23276937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).