1-[(4-chlorophenyl)methyl]-6-methoxy-N-pentylquinolin-4-imine

C22H25ClN2O — CID 10248488

IUPAC1-[(4-chlorophenyl)methyl]-6-methoxy-N-pentylquinolin-4-imine
SMILESCCCCC/N=c1\ccn(Cc2ccc(Cl)cc2)c2ccc(OC)cc12
InChIInChI=1S/C22H25ClN2O/c1-3-4-5-13-24-21-12-14-25(16-17-6-8-18(23)9-7-17)22-11-10-19(26-2)15-20(21)22/h6-12,14-15H,3-5,13,16H2,1-2H3/b24-21+
InChIKeyCJCYDPWIDBVYTE-DARPEHSRSA-N
MW368.91 g/mol
LogP5.44
Rot. Bonds7

About 1-[(4-chlorophenyl)methyl]-6-methoxy-N-pentylquinolin-4-imine

1-[(4-chlorophenyl)methyl]-6-methoxy-N-pentylquinolin-4-imine (PubChem CID 10248488) has the molecular formula C22H25ClN2O and a molecular weight of 368.91 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-6-methoxy-N-pentylquinolin-4-imine.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-6-methoxy-N-pentylquinolin-4-imine
PubChem CID10248488
Molecular FormulaC22H25ClN2O
Molecular Weight368.91 g/mol
Exact Mass368.17
IUPAC Name1-[(4-chlorophenyl)methyl]-6-methoxy-N-pentylquinolin-4-imine
SMILESCCCCC/N=c1\ccn(Cc2ccc(Cl)cc2)c2ccc(OC)cc12
InChIInChI=1S/C22H25ClN2O/c1-3-4-5-13-24-21-12-14-25(16-17-6-8-18(23)9-7-17)22-11-10-19(26-2)15-20(21)22/h6-12,14-15H,3-5,13,16H2,1-2H3/b24-21+
InChIKeyCJCYDPWIDBVYTE-DARPEHSRSA-N
XLogP5.44
TPSA26.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.91
LogP ≤ 55.44
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-[(4-chlorophenyl)methyl]-6-methoxy-N-pentylquinolin-4-imine?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-6-methoxy-N-pentylquinolin-4-imine (CID 10248488) is 1-[(4-chlorophenyl)methyl]-6-methoxy-N-pentylquinolin-4-imine.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-6-methoxy-N-pentylquinolin-4-imine?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-6-methoxy-N-pentylquinolin-4-imine is CCCCC/N=c1\ccn(Cc2ccc(Cl)cc2)c2ccc(OC)cc12.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-6-methoxy-N-pentylquinolin-4-imine?
The InChIKey is CJCYDPWIDBVYTE-DARPEHSRSA-N. The full InChI is InChI=1S/C22H25ClN2O/c1-3-4-5-13-24-21-12-14-25(16-17-6-8-18(23)9-7-17)22-11-10-19(26-2)15-20(21)22/h6-12,14-15H,3-5,13,16H2,1-2H3/b24-21+.
What are the key properties of 1-[(4-chlorophenyl)methyl]-6-methoxy-N-pentylquinolin-4-imine?
1-[(4-chlorophenyl)methyl]-6-methoxy-N-pentylquinolin-4-imine has a molecular weight of 368.91 g/mol, XLogP of 5.44, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-6-methoxy-N-pentylquinolin-4-imine is sourced from PubChem (CID 10248488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).