2-chloro-3-[[4-[(2-chlorophenoxy)methyl]triazol-1-yl]methyl]quinoline

C19H14Cl2N4O — CID 162650759

IUPAC2-chloro-3-[[4-[(2-chlorophenoxy)methyl]triazol-1-yl]methyl]quinoline
SMILESClc1ccccc1OCc1cn(Cc2cc3ccccc3nc2Cl)nn1
InChIInChI=1S/C19H14Cl2N4O/c20-16-6-2-4-8-18(16)26-12-15-11-25(24-23-15)10-14-9-13-5-1-3-7-17(13)22-19(14)21/h1-9,11H,10,12H2
InChIKeyMNRLGGXFQLWGNQ-UHFFFAOYSA-N
MW385.25 g/mol
LogP4.76
Rot. Bonds5

About 2-chloro-3-[[4-[(2-chlorophenoxy)methyl]triazol-1-yl]methyl]quinoline

2-chloro-3-[[4-[(2-chlorophenoxy)methyl]triazol-1-yl]methyl]quinoline (PubChem CID 162650759) has the molecular formula C19H14Cl2N4O and a molecular weight of 385.25 g/mol. Its IUPAC name is 2-chloro-3-[[4-[(2-chlorophenoxy)methyl]triazol-1-yl]methyl]quinoline.

Molecular Properties

Compound Name2-chloro-3-[[4-[(2-chlorophenoxy)methyl]triazol-1-yl]methyl]quinoline
PubChem CID162650759
Molecular FormulaC19H14Cl2N4O
Molecular Weight385.25 g/mol
Exact Mass384.05
IUPAC Name2-chloro-3-[[4-[(2-chlorophenoxy)methyl]triazol-1-yl]methyl]quinoline
SMILESClc1ccccc1OCc1cn(Cc2cc3ccccc3nc2Cl)nn1
InChIInChI=1S/C19H14Cl2N4O/c20-16-6-2-4-8-18(16)26-12-15-11-25(24-23-15)10-14-9-13-5-1-3-7-17(13)22-19(14)21/h1-9,11H,10,12H2
InChIKeyMNRLGGXFQLWGNQ-UHFFFAOYSA-N
XLogP4.76
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.25
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-[[4-[(2-chlorophenoxy)methyl]triazol-1-yl]methyl]quinoline?
The IUPAC name of 2-chloro-3-[[4-[(2-chlorophenoxy)methyl]triazol-1-yl]methyl]quinoline (CID 162650759) is 2-chloro-3-[[4-[(2-chlorophenoxy)methyl]triazol-1-yl]methyl]quinoline.
What is the SMILES notation for 2-chloro-3-[[4-[(2-chlorophenoxy)methyl]triazol-1-yl]methyl]quinoline?
The canonical SMILES for 2-chloro-3-[[4-[(2-chlorophenoxy)methyl]triazol-1-yl]methyl]quinoline is Clc1ccccc1OCc1cn(Cc2cc3ccccc3nc2Cl)nn1.
What is the InChIKey of 2-chloro-3-[[4-[(2-chlorophenoxy)methyl]triazol-1-yl]methyl]quinoline?
The InChIKey is MNRLGGXFQLWGNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2N4O/c20-16-6-2-4-8-18(16)26-12-15-11-25(24-23-15)10-14-9-13-5-1-3-7-17(13)22-19(14)21/h1-9,11H,10,12H2.
What are the key properties of 2-chloro-3-[[4-[(2-chlorophenoxy)methyl]triazol-1-yl]methyl]quinoline?
2-chloro-3-[[4-[(2-chlorophenoxy)methyl]triazol-1-yl]methyl]quinoline has a molecular weight of 385.25 g/mol, XLogP of 4.76, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-[[4-[(2-chlorophenoxy)methyl]triazol-1-yl]methyl]quinoline is sourced from PubChem (CID 162650759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).