(E)-1-(2-chloro-6-methylquinolin-3-yl)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)methanimine

C15H14ClN5 — CID 6892712

IUPAC(E)-1-(2-chloro-6-methylquinolin-3-yl)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)methanimine
SMILESCc1ccc2nc(Cl)c(/C=N/n3c(C)nnc3C)cc2c1
InChIInChI=1S/C15H14ClN5/c1-9-4-5-14-12(6-9)7-13(15(16)18-14)8-17-21-10(2)19-20-11(21)3/h4-8H,1-3H3/b17-8+
InChIKeyWGYWGZQFTNUBBV-CAOOACKPSA-N
MW299.77 g/mol
LogP3.29
Rot. Bonds2

About (E)-1-(2-chloro-6-methylquinolin-3-yl)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)methanimine

(E)-1-(2-chloro-6-methylquinolin-3-yl)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)methanimine (PubChem CID 6892712) has the molecular formula C15H14ClN5 and a molecular weight of 299.77 g/mol. Its IUPAC name is (E)-1-(2-chloro-6-methylquinolin-3-yl)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)methanimine.

Molecular Properties

Compound Name(E)-1-(2-chloro-6-methylquinolin-3-yl)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)methanimine
PubChem CID6892712
Molecular FormulaC15H14ClN5
Molecular Weight299.77 g/mol
Exact Mass299.09
IUPAC Name(E)-1-(2-chloro-6-methylquinolin-3-yl)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)methanimine
SMILESCc1ccc2nc(Cl)c(/C=N/n3c(C)nnc3C)cc2c1
InChIInChI=1S/C15H14ClN5/c1-9-4-5-14-12(6-9)7-13(15(16)18-14)8-17-21-10(2)19-20-11(21)3/h4-8H,1-3H3/b17-8+
InChIKeyWGYWGZQFTNUBBV-CAOOACKPSA-N
XLogP3.29
TPSA55.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.77
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 (E)-1-(2-chloro-6-methylquinolin-3-yl)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)methanimine?
The IUPAC name of (E)-1-(2-chloro-6-methylquinolin-3-yl)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)methanimine (CID 6892712) is (E)-1-(2-chloro-6-methylquinolin-3-yl)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)methanimine.
What is the SMILES notation for (E)-1-(2-chloro-6-methylquinolin-3-yl)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)methanimine?
The canonical SMILES for (E)-1-(2-chloro-6-methylquinolin-3-yl)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)methanimine is Cc1ccc2nc(Cl)c(/C=N/n3c(C)nnc3C)cc2c1.
What is the InChIKey of (E)-1-(2-chloro-6-methylquinolin-3-yl)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)methanimine?
The InChIKey is WGYWGZQFTNUBBV-CAOOACKPSA-N. The full InChI is InChI=1S/C15H14ClN5/c1-9-4-5-14-12(6-9)7-13(15(16)18-14)8-17-21-10(2)19-20-11(21)3/h4-8H,1-3H3/b17-8+.
What are the key properties of (E)-1-(2-chloro-6-methylquinolin-3-yl)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)methanimine?
(E)-1-(2-chloro-6-methylquinolin-3-yl)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)methanimine has a molecular weight of 299.77 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(2-chloro-6-methylquinolin-3-yl)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)methanimine is sourced from PubChem (CID 6892712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).