N-benzyl-1-(2-chloro-6-methylquinolin-3-yl)methanimine

C18H15ClN2 — CID 155510789

IUPACN-benzyl-1-(2-chloro-6-methylquinolin-3-yl)methanimine
SMILESCc1ccc2nc(Cl)c(/C=N/Cc3ccccc3)cc2c1
InChIInChI=1S/C18H15ClN2/c1-13-7-8-17-15(9-13)10-16(18(19)21-17)12-20-11-14-5-3-2-4-6-14/h2-10,12H,11H2,1H3/b20-12+
InChIKeyBAEXZLRZJRUEAE-UDWIEESQSA-N
MW294.78 g/mol
LogP4.82
Rot. Bonds3

About N-benzyl-1-(2-chloro-6-methylquinolin-3-yl)methanimine

N-benzyl-1-(2-chloro-6-methylquinolin-3-yl)methanimine (PubChem CID 155510789) has the molecular formula C18H15ClN2 and a molecular weight of 294.78 g/mol. Its IUPAC name is N-benzyl-1-(2-chloro-6-methylquinolin-3-yl)methanimine.

Molecular Properties

Compound NameN-benzyl-1-(2-chloro-6-methylquinolin-3-yl)methanimine
PubChem CID155510789
Molecular FormulaC18H15ClN2
Molecular Weight294.78 g/mol
Exact Mass294.09
IUPAC NameN-benzyl-1-(2-chloro-6-methylquinolin-3-yl)methanimine
SMILESCc1ccc2nc(Cl)c(/C=N/Cc3ccccc3)cc2c1
InChIInChI=1S/C18H15ClN2/c1-13-7-8-17-15(9-13)10-16(18(19)21-17)12-20-11-14-5-3-2-4-6-14/h2-10,12H,11H2,1H3/b20-12+
InChIKeyBAEXZLRZJRUEAE-UDWIEESQSA-N
XLogP4.82
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(2-chloro-6-methylquinolin-3-yl)methanimine?
The IUPAC name of N-benzyl-1-(2-chloro-6-methylquinolin-3-yl)methanimine (CID 155510789) is N-benzyl-1-(2-chloro-6-methylquinolin-3-yl)methanimine.
What is the SMILES notation for N-benzyl-1-(2-chloro-6-methylquinolin-3-yl)methanimine?
The canonical SMILES for N-benzyl-1-(2-chloro-6-methylquinolin-3-yl)methanimine is Cc1ccc2nc(Cl)c(/C=N/Cc3ccccc3)cc2c1.
What is the InChIKey of N-benzyl-1-(2-chloro-6-methylquinolin-3-yl)methanimine?
The InChIKey is BAEXZLRZJRUEAE-UDWIEESQSA-N. The full InChI is InChI=1S/C18H15ClN2/c1-13-7-8-17-15(9-13)10-16(18(19)21-17)12-20-11-14-5-3-2-4-6-14/h2-10,12H,11H2,1H3/b20-12+.
What are the key properties of N-benzyl-1-(2-chloro-6-methylquinolin-3-yl)methanimine?
N-benzyl-1-(2-chloro-6-methylquinolin-3-yl)methanimine has a molecular weight of 294.78 g/mol, XLogP of 4.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(2-chloro-6-methylquinolin-3-yl)methanimine is sourced from PubChem (CID 155510789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).