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

C12H8ClN5 — CID 45124564

IUPAC(Z)-1-(2-chloroquinolin-3-yl)-N-(1,2,4-triazol-4-yl)methanimine
SMILESClc1nc2ccccc2cc1/C=N\n1cnnc1
InChIInChI=1S/C12H8ClN5/c13-12-10(6-16-18-7-14-15-8-18)5-9-3-1-2-4-11(9)17-12/h1-8H/b16-6-
InChIKeyQVOCOPMNCCGLIT-SOFYXZRVSA-N
MW257.68 g/mol
LogP2.36
Rot. Bonds2

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

(Z)-1-(2-chloroquinolin-3-yl)-N-(1,2,4-triazol-4-yl)methanimine (PubChem CID 45124564) has the molecular formula C12H8ClN5 and a molecular weight of 257.68 g/mol. Its IUPAC name is (Z)-1-(2-chloroquinolin-3-yl)-N-(1,2,4-triazol-4-yl)methanimine.

Molecular Properties

Compound Name(Z)-1-(2-chloroquinolin-3-yl)-N-(1,2,4-triazol-4-yl)methanimine
PubChem CID45124564
Molecular FormulaC12H8ClN5
Molecular Weight257.68 g/mol
Exact Mass257.05
IUPAC Name(Z)-1-(2-chloroquinolin-3-yl)-N-(1,2,4-triazol-4-yl)methanimine
SMILESClc1nc2ccccc2cc1/C=N\n1cnnc1
InChIInChI=1S/C12H8ClN5/c13-12-10(6-16-18-7-14-15-8-18)5-9-3-1-2-4-11(9)17-12/h1-8H/b16-6-
InChIKeyQVOCOPMNCCGLIT-SOFYXZRVSA-N
XLogP2.36
TPSA55.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.68
LogP ≤ 52.36
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 (Z)-1-(2-chloroquinolin-3-yl)-N-(1,2,4-triazol-4-yl)methanimine?
The IUPAC name of (Z)-1-(2-chloroquinolin-3-yl)-N-(1,2,4-triazol-4-yl)methanimine (CID 45124564) is (Z)-1-(2-chloroquinolin-3-yl)-N-(1,2,4-triazol-4-yl)methanimine.
What is the SMILES notation for (Z)-1-(2-chloroquinolin-3-yl)-N-(1,2,4-triazol-4-yl)methanimine?
The canonical SMILES for (Z)-1-(2-chloroquinolin-3-yl)-N-(1,2,4-triazol-4-yl)methanimine is Clc1nc2ccccc2cc1/C=N\n1cnnc1.
What is the InChIKey of (Z)-1-(2-chloroquinolin-3-yl)-N-(1,2,4-triazol-4-yl)methanimine?
The InChIKey is QVOCOPMNCCGLIT-SOFYXZRVSA-N. The full InChI is InChI=1S/C12H8ClN5/c13-12-10(6-16-18-7-14-15-8-18)5-9-3-1-2-4-11(9)17-12/h1-8H/b16-6-.
What are the key properties of (Z)-1-(2-chloroquinolin-3-yl)-N-(1,2,4-triazol-4-yl)methanimine?
(Z)-1-(2-chloroquinolin-3-yl)-N-(1,2,4-triazol-4-yl)methanimine has a molecular weight of 257.68 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(2-chloroquinolin-3-yl)-N-(1,2,4-triazol-4-yl)methanimine is sourced from PubChem (CID 45124564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).