N-[4-(6-chloro-4-phenylquinolin-2-yl)phenyl]-1-(2-methoxyphenyl)methanimine

C29H21ClN2O — CID 23856286

IUPACN-[4-(6-chloro-4-phenylquinolin-2-yl)phenyl]-1-(2-methoxyphenyl)methanimine
SMILESCOc1ccccc1/C=N/c1ccc(-c2cc(-c3ccccc3)c3cc(Cl)ccc3n2)cc1
InChIInChI=1S/C29H21ClN2O/c1-33-29-10-6-5-9-22(29)19-31-24-14-11-21(12-15-24)28-18-25(20-7-3-2-4-8-20)26-17-23(30)13-16-27(26)32-28/h2-19H,1H3/b31-19+
InChIKeyAHHGBTAUDLQHON-ZCTHSVRISA-N
MW448.95 g/mol
LogP7.98
Rot. Bonds5

About N-[4-(6-chloro-4-phenylquinolin-2-yl)phenyl]-1-(2-methoxyphenyl)methanimine

N-[4-(6-chloro-4-phenylquinolin-2-yl)phenyl]-1-(2-methoxyphenyl)methanimine (PubChem CID 23856286) has the molecular formula C29H21ClN2O and a molecular weight of 448.95 g/mol. Its IUPAC name is N-[4-(6-chloro-4-phenylquinolin-2-yl)phenyl]-1-(2-methoxyphenyl)methanimine.

Molecular Properties

Compound NameN-[4-(6-chloro-4-phenylquinolin-2-yl)phenyl]-1-(2-methoxyphenyl)methanimine
PubChem CID23856286
Molecular FormulaC29H21ClN2O
Molecular Weight448.95 g/mol
Exact Mass448.13
IUPAC NameN-[4-(6-chloro-4-phenylquinolin-2-yl)phenyl]-1-(2-methoxyphenyl)methanimine
SMILESCOc1ccccc1/C=N/c1ccc(-c2cc(-c3ccccc3)c3cc(Cl)ccc3n2)cc1
InChIInChI=1S/C29H21ClN2O/c1-33-29-10-6-5-9-22(29)19-31-24-14-11-21(12-15-24)28-18-25(20-7-3-2-4-8-20)26-17-23(30)13-16-27(26)32-28/h2-19H,1H3/b31-19+
InChIKeyAHHGBTAUDLQHON-ZCTHSVRISA-N
XLogP7.98
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.95
LogP ≤ 57.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-(6-chloro-4-phenylquinolin-2-yl)phenyl]-1-(2-methoxyphenyl)methanimine?
The IUPAC name of N-[4-(6-chloro-4-phenylquinolin-2-yl)phenyl]-1-(2-methoxyphenyl)methanimine (CID 23856286) is N-[4-(6-chloro-4-phenylquinolin-2-yl)phenyl]-1-(2-methoxyphenyl)methanimine.
What is the SMILES notation for N-[4-(6-chloro-4-phenylquinolin-2-yl)phenyl]-1-(2-methoxyphenyl)methanimine?
The canonical SMILES for N-[4-(6-chloro-4-phenylquinolin-2-yl)phenyl]-1-(2-methoxyphenyl)methanimine is COc1ccccc1/C=N/c1ccc(-c2cc(-c3ccccc3)c3cc(Cl)ccc3n2)cc1.
What is the InChIKey of N-[4-(6-chloro-4-phenylquinolin-2-yl)phenyl]-1-(2-methoxyphenyl)methanimine?
The InChIKey is AHHGBTAUDLQHON-ZCTHSVRISA-N. The full InChI is InChI=1S/C29H21ClN2O/c1-33-29-10-6-5-9-22(29)19-31-24-14-11-21(12-15-24)28-18-25(20-7-3-2-4-8-20)26-17-23(30)13-16-27(26)32-28/h2-19H,1H3/b31-19+.
What are the key properties of N-[4-(6-chloro-4-phenylquinolin-2-yl)phenyl]-1-(2-methoxyphenyl)methanimine?
N-[4-(6-chloro-4-phenylquinolin-2-yl)phenyl]-1-(2-methoxyphenyl)methanimine has a molecular weight of 448.95 g/mol, XLogP of 7.98, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-chloro-4-phenylquinolin-2-yl)phenyl]-1-(2-methoxyphenyl)methanimine is sourced from PubChem (CID 23856286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).