(E)-1-(2-chloroquinolin-3-yl)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)methanimine

C14H12ClN5 — CID 6892736

IUPAC(E)-1-(2-chloroquinolin-3-yl)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)methanimine
SMILESCc1nnc(C)n1/N=C/c1cc2ccccc2nc1Cl
InChIInChI=1S/C14H12ClN5/c1-9-18-19-10(2)20(9)16-8-12-7-11-5-3-4-6-13(11)17-14(12)15/h3-8H,1-2H3/b16-8+
InChIKeyQQIALJLPGBHYRW-LZYBPNLTSA-N
MW285.74 g/mol
LogP2.98
Rot. Bonds2

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

(E)-1-(2-chloroquinolin-3-yl)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)methanimine (PubChem CID 6892736) has the molecular formula C14H12ClN5 and a molecular weight of 285.74 g/mol. Its IUPAC name is (E)-1-(2-chloroquinolin-3-yl)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)methanimine.

Molecular Properties

Compound Name(E)-1-(2-chloroquinolin-3-yl)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)methanimine
PubChem CID6892736
Molecular FormulaC14H12ClN5
Molecular Weight285.74 g/mol
Exact Mass285.08
IUPAC Name(E)-1-(2-chloroquinolin-3-yl)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)methanimine
SMILESCc1nnc(C)n1/N=C/c1cc2ccccc2nc1Cl
InChIInChI=1S/C14H12ClN5/c1-9-18-19-10(2)20(9)16-8-12-7-11-5-3-4-6-13(11)17-14(12)15/h3-8H,1-2H3/b16-8+
InChIKeyQQIALJLPGBHYRW-LZYBPNLTSA-N
XLogP2.98
TPSA55.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.74
LogP ≤ 52.98
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'}

Analyze (E)-1-(2-chloroquinolin-3-yl)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)methanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-1-(2-chloroquinolin-3-yl)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)methanimine?
The IUPAC name of (E)-1-(2-chloroquinolin-3-yl)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)methanimine (CID 6892736) is (E)-1-(2-chloroquinolin-3-yl)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)methanimine.
What is the SMILES notation for (E)-1-(2-chloroquinolin-3-yl)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)methanimine?
The canonical SMILES for (E)-1-(2-chloroquinolin-3-yl)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)methanimine is Cc1nnc(C)n1/N=C/c1cc2ccccc2nc1Cl.
What is the InChIKey of (E)-1-(2-chloroquinolin-3-yl)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)methanimine?
The InChIKey is QQIALJLPGBHYRW-LZYBPNLTSA-N. The full InChI is InChI=1S/C14H12ClN5/c1-9-18-19-10(2)20(9)16-8-12-7-11-5-3-4-6-13(11)17-14(12)15/h3-8H,1-2H3/b16-8+.
What are the key properties of (E)-1-(2-chloroquinolin-3-yl)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)methanimine?
(E)-1-(2-chloroquinolin-3-yl)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)methanimine has a molecular weight of 285.74 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(2-chloroquinolin-3-yl)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)methanimine is sourced from PubChem (CID 6892736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).