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

C18H15ClN2 — CID 710264

IUPAC1-(2-chloroquinolin-3-yl)-N-(2,4-dimethylphenyl)methanimine
SMILESCc1ccc(/N=C/c2cc3ccccc3nc2Cl)c(C)c1
InChIInChI=1S/C18H15ClN2/c1-12-7-8-16(13(2)9-12)20-11-15-10-14-5-3-4-6-17(14)21-18(15)19/h3-11H,1-2H3/b20-11+
InChIKeyPQHPWFRLYZXULX-RGVLZGJSSA-N
MW294.79 g/mol
LogP5.26
Rot. Bonds2

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

1-(2-chloroquinolin-3-yl)-N-(2,4-dimethylphenyl)methanimine (PubChem CID 710264) has the molecular formula C18H15ClN2 and a molecular weight of 294.79 g/mol. Its IUPAC name is 1-(2-chloroquinolin-3-yl)-N-(2,4-dimethylphenyl)methanimine.

Molecular Properties

Compound Name1-(2-chloroquinolin-3-yl)-N-(2,4-dimethylphenyl)methanimine
PubChem CID710264
Molecular FormulaC18H15ClN2
Molecular Weight294.79 g/mol
Exact Mass294.09
IUPAC Name1-(2-chloroquinolin-3-yl)-N-(2,4-dimethylphenyl)methanimine
SMILESCc1ccc(/N=C/c2cc3ccccc3nc2Cl)c(C)c1
InChIInChI=1S/C18H15ClN2/c1-12-7-8-16(13(2)9-12)20-11-15-10-14-5-3-4-6-17(14)21-18(15)19/h3-11H,1-2H3/b20-11+
InChIKeyPQHPWFRLYZXULX-RGVLZGJSSA-N
XLogP5.26
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.79
LogP ≤ 55.26
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-(2,4-dimethylphenyl)methanimine?
The IUPAC name of 1-(2-chloroquinolin-3-yl)-N-(2,4-dimethylphenyl)methanimine (CID 710264) is 1-(2-chloroquinolin-3-yl)-N-(2,4-dimethylphenyl)methanimine.
What is the SMILES notation for 1-(2-chloroquinolin-3-yl)-N-(2,4-dimethylphenyl)methanimine?
The canonical SMILES for 1-(2-chloroquinolin-3-yl)-N-(2,4-dimethylphenyl)methanimine is Cc1ccc(/N=C/c2cc3ccccc3nc2Cl)c(C)c1.
What is the InChIKey of 1-(2-chloroquinolin-3-yl)-N-(2,4-dimethylphenyl)methanimine?
The InChIKey is PQHPWFRLYZXULX-RGVLZGJSSA-N. The full InChI is InChI=1S/C18H15ClN2/c1-12-7-8-16(13(2)9-12)20-11-15-10-14-5-3-4-6-17(14)21-18(15)19/h3-11H,1-2H3/b20-11+.
What are the key properties of 1-(2-chloroquinolin-3-yl)-N-(2,4-dimethylphenyl)methanimine?
1-(2-chloroquinolin-3-yl)-N-(2,4-dimethylphenyl)methanimine has a molecular weight of 294.79 g/mol, XLogP of 5.26, 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-(2,4-dimethylphenyl)methanimine is sourced from PubChem (CID 710264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).