1-(2-chloroquinolin-3-yl)-N-(3,4-dichlorophenyl)methanimine

C16H9Cl3N2 — CID 690981

IUPAC1-(2-chloroquinolin-3-yl)-N-(3,4-dichlorophenyl)methanimine
SMILESClc1ccc(/N=C/c2cc3ccccc3nc2Cl)cc1Cl
InChIInChI=1S/C16H9Cl3N2/c17-13-6-5-12(8-14(13)18)20-9-11-7-10-3-1-2-4-15(10)21-16(11)19/h1-9H/b20-9+
InChIKeyNLQDUWVYRGKEDR-AWQFTUOYSA-N
MW335.62 g/mol
LogP5.95
Rot. Bonds2

About 1-(2-chloroquinolin-3-yl)-N-(3,4-dichlorophenyl)methanimine

1-(2-chloroquinolin-3-yl)-N-(3,4-dichlorophenyl)methanimine (PubChem CID 690981) has the molecular formula C16H9Cl3N2 and a molecular weight of 335.62 g/mol. Its IUPAC name is 1-(2-chloroquinolin-3-yl)-N-(3,4-dichlorophenyl)methanimine.

Molecular Properties

Compound Name1-(2-chloroquinolin-3-yl)-N-(3,4-dichlorophenyl)methanimine
PubChem CID690981
Molecular FormulaC16H9Cl3N2
Molecular Weight335.62 g/mol
Exact Mass333.98
IUPAC Name1-(2-chloroquinolin-3-yl)-N-(3,4-dichlorophenyl)methanimine
SMILESClc1ccc(/N=C/c2cc3ccccc3nc2Cl)cc1Cl
InChIInChI=1S/C16H9Cl3N2/c17-13-6-5-12(8-14(13)18)20-9-11-7-10-3-1-2-4-15(10)21-16(11)19/h1-9H/b20-9+
InChIKeyNLQDUWVYRGKEDR-AWQFTUOYSA-N
XLogP5.95
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.62
LogP ≤ 55.95
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-chloroquinolin-3-yl)-N-(3,4-dichlorophenyl)methanimine?
The IUPAC name of 1-(2-chloroquinolin-3-yl)-N-(3,4-dichlorophenyl)methanimine (CID 690981) is 1-(2-chloroquinolin-3-yl)-N-(3,4-dichlorophenyl)methanimine.
What is the SMILES notation for 1-(2-chloroquinolin-3-yl)-N-(3,4-dichlorophenyl)methanimine?
The canonical SMILES for 1-(2-chloroquinolin-3-yl)-N-(3,4-dichlorophenyl)methanimine is Clc1ccc(/N=C/c2cc3ccccc3nc2Cl)cc1Cl.
What is the InChIKey of 1-(2-chloroquinolin-3-yl)-N-(3,4-dichlorophenyl)methanimine?
The InChIKey is NLQDUWVYRGKEDR-AWQFTUOYSA-N. The full InChI is InChI=1S/C16H9Cl3N2/c17-13-6-5-12(8-14(13)18)20-9-11-7-10-3-1-2-4-15(10)21-16(11)19/h1-9H/b20-9+.
What are the key properties of 1-(2-chloroquinolin-3-yl)-N-(3,4-dichlorophenyl)methanimine?
1-(2-chloroquinolin-3-yl)-N-(3,4-dichlorophenyl)methanimine has a molecular weight of 335.62 g/mol, XLogP of 5.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloroquinolin-3-yl)-N-(3,4-dichlorophenyl)methanimine is sourced from PubChem (CID 690981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).