1-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)-N-(2,3-dichlorophenyl)methanimine

C20H19Cl3N2 — CID 50865494

IUPAC1-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)-N-(2,3-dichlorophenyl)methanimine
SMILESCC1=CC(C)(C)N(C)c2cc(Cl)c(/C=N/c3cccc(Cl)c3Cl)cc21
InChIInChI=1S/C20H19Cl3N2/c1-12-10-20(2,3)25(4)18-9-16(22)13(8-14(12)18)11-24-17-7-5-6-15(21)19(17)23/h5-11H,1-4H3/b24-11+
InChIKeyWBASGRBWWDJQHF-BHGWPJFGSA-N
MW393.75 g/mol
LogP7.03
Rot. Bonds2

About 1-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)-N-(2,3-dichlorophenyl)methanimine

1-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)-N-(2,3-dichlorophenyl)methanimine (PubChem CID 50865494) has the molecular formula C20H19Cl3N2 and a molecular weight of 393.75 g/mol. Its IUPAC name is 1-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)-N-(2,3-dichlorophenyl)methanimine.

Molecular Properties

Compound Name1-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)-N-(2,3-dichlorophenyl)methanimine
PubChem CID50865494
Molecular FormulaC20H19Cl3N2
Molecular Weight393.75 g/mol
Exact Mass392.06
IUPAC Name1-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)-N-(2,3-dichlorophenyl)methanimine
SMILESCC1=CC(C)(C)N(C)c2cc(Cl)c(/C=N/c3cccc(Cl)c3Cl)cc21
InChIInChI=1S/C20H19Cl3N2/c1-12-10-20(2,3)25(4)18-9-16(22)13(8-14(12)18)11-24-17-7-5-6-15(21)19(17)23/h5-11H,1-4H3/b24-11+
InChIKeyWBASGRBWWDJQHF-BHGWPJFGSA-N
XLogP7.03
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.75
LogP ≤ 57.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 1-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)-N-(2,3-dichlorophenyl)methanimine?
The IUPAC name of 1-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)-N-(2,3-dichlorophenyl)methanimine (CID 50865494) is 1-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)-N-(2,3-dichlorophenyl)methanimine.
What is the SMILES notation for 1-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)-N-(2,3-dichlorophenyl)methanimine?
The canonical SMILES for 1-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)-N-(2,3-dichlorophenyl)methanimine is CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=N/c3cccc(Cl)c3Cl)cc21.
What is the InChIKey of 1-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)-N-(2,3-dichlorophenyl)methanimine?
The InChIKey is WBASGRBWWDJQHF-BHGWPJFGSA-N. The full InChI is InChI=1S/C20H19Cl3N2/c1-12-10-20(2,3)25(4)18-9-16(22)13(8-14(12)18)11-24-17-7-5-6-15(21)19(17)23/h5-11H,1-4H3/b24-11+.
What are the key properties of 1-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)-N-(2,3-dichlorophenyl)methanimine?
1-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)-N-(2,3-dichlorophenyl)methanimine has a molecular weight of 393.75 g/mol, XLogP of 7.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)-N-(2,3-dichlorophenyl)methanimine is sourced from PubChem (CID 50865494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).