1-(2-chloro-8-methylquinolin-3-yl)-N-(2,4-dichlorophenyl)methanimine

C17H11Cl3N2 — CID 3953413

IUPAC1-(2-chloro-8-methylquinolin-3-yl)-N-(2,4-dichlorophenyl)methanimine
SMILESCc1cccc2cc(/C=N/c3ccc(Cl)cc3Cl)c(Cl)nc12
InChIInChI=1S/C17H11Cl3N2/c1-10-3-2-4-11-7-12(17(20)22-16(10)11)9-21-15-6-5-13(18)8-14(15)19/h2-9H,1H3/b21-9+
InChIKeyXHJJAOQFESUAKV-ZVBGSRNCSA-N
MW349.65 g/mol
LogP6.25
Rot. Bonds2

About 1-(2-chloro-8-methylquinolin-3-yl)-N-(2,4-dichlorophenyl)methanimine

1-(2-chloro-8-methylquinolin-3-yl)-N-(2,4-dichlorophenyl)methanimine (PubChem CID 3953413) has the molecular formula C17H11Cl3N2 and a molecular weight of 349.65 g/mol. Its IUPAC name is 1-(2-chloro-8-methylquinolin-3-yl)-N-(2,4-dichlorophenyl)methanimine.

Molecular Properties

Compound Name1-(2-chloro-8-methylquinolin-3-yl)-N-(2,4-dichlorophenyl)methanimine
PubChem CID3953413
Molecular FormulaC17H11Cl3N2
Molecular Weight349.65 g/mol
Exact Mass348.00
IUPAC Name1-(2-chloro-8-methylquinolin-3-yl)-N-(2,4-dichlorophenyl)methanimine
SMILESCc1cccc2cc(/C=N/c3ccc(Cl)cc3Cl)c(Cl)nc12
InChIInChI=1S/C17H11Cl3N2/c1-10-3-2-4-11-7-12(17(20)22-16(10)11)9-21-15-6-5-13(18)8-14(15)19/h2-9H,1H3/b21-9+
InChIKeyXHJJAOQFESUAKV-ZVBGSRNCSA-N
XLogP6.25
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.65
LogP ≤ 56.25
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 1-(2-chloro-8-methylquinolin-3-yl)-N-(2,4-dichlorophenyl)methanimine?
The IUPAC name of 1-(2-chloro-8-methylquinolin-3-yl)-N-(2,4-dichlorophenyl)methanimine (CID 3953413) is 1-(2-chloro-8-methylquinolin-3-yl)-N-(2,4-dichlorophenyl)methanimine.
What is the SMILES notation for 1-(2-chloro-8-methylquinolin-3-yl)-N-(2,4-dichlorophenyl)methanimine?
The canonical SMILES for 1-(2-chloro-8-methylquinolin-3-yl)-N-(2,4-dichlorophenyl)methanimine is Cc1cccc2cc(/C=N/c3ccc(Cl)cc3Cl)c(Cl)nc12.
What is the InChIKey of 1-(2-chloro-8-methylquinolin-3-yl)-N-(2,4-dichlorophenyl)methanimine?
The InChIKey is XHJJAOQFESUAKV-ZVBGSRNCSA-N. The full InChI is InChI=1S/C17H11Cl3N2/c1-10-3-2-4-11-7-12(17(20)22-16(10)11)9-21-15-6-5-13(18)8-14(15)19/h2-9H,1H3/b21-9+.
What are the key properties of 1-(2-chloro-8-methylquinolin-3-yl)-N-(2,4-dichlorophenyl)methanimine?
1-(2-chloro-8-methylquinolin-3-yl)-N-(2,4-dichlorophenyl)methanimine has a molecular weight of 349.65 g/mol, XLogP of 6.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-8-methylquinolin-3-yl)-N-(2,4-dichlorophenyl)methanimine is sourced from PubChem (CID 3953413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).