2-(4,6-dichloroquinolin-3-yl)ethyl formate

C12H9Cl2NO2 — CID 174637327

IUPAC2-(4,6-dichloroquinolin-3-yl)ethyl formate
SMILESO=COCCc1cnc2ccc(Cl)cc2c1Cl
InChIInChI=1S/C12H9Cl2NO2/c13-9-1-2-11-10(5-9)12(14)8(6-15-11)3-4-17-7-16/h1-2,5-7H,3-4H2
InChIKeyNMKZBSWSBCUDGQ-UHFFFAOYSA-N
MW270.11 g/mol
LogP3.26
Rot. Bonds4

About 2-(4,6-dichloroquinolin-3-yl)ethyl formate

2-(4,6-dichloroquinolin-3-yl)ethyl formate (PubChem CID 174637327) has the molecular formula C12H9Cl2NO2 and a molecular weight of 270.11 g/mol. Its IUPAC name is 2-(4,6-dichloroquinolin-3-yl)ethyl formate.

Molecular Properties

Compound Name2-(4,6-dichloroquinolin-3-yl)ethyl formate
PubChem CID174637327
Molecular FormulaC12H9Cl2NO2
Molecular Weight270.11 g/mol
Exact Mass269.00
IUPAC Name2-(4,6-dichloroquinolin-3-yl)ethyl formate
SMILESO=COCCc1cnc2ccc(Cl)cc2c1Cl
InChIInChI=1S/C12H9Cl2NO2/c13-9-1-2-11-10(5-9)12(14)8(6-15-11)3-4-17-7-16/h1-2,5-7H,3-4H2
InChIKeyNMKZBSWSBCUDGQ-UHFFFAOYSA-N
XLogP3.26
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.11
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dichloroquinolin-3-yl)ethyl formate?
The IUPAC name of 2-(4,6-dichloroquinolin-3-yl)ethyl formate (CID 174637327) is 2-(4,6-dichloroquinolin-3-yl)ethyl formate.
What is the SMILES notation for 2-(4,6-dichloroquinolin-3-yl)ethyl formate?
The canonical SMILES for 2-(4,6-dichloroquinolin-3-yl)ethyl formate is O=COCCc1cnc2ccc(Cl)cc2c1Cl.
What is the InChIKey of 2-(4,6-dichloroquinolin-3-yl)ethyl formate?
The InChIKey is NMKZBSWSBCUDGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2NO2/c13-9-1-2-11-10(5-9)12(14)8(6-15-11)3-4-17-7-16/h1-2,5-7H,3-4H2.
What are the key properties of 2-(4,6-dichloroquinolin-3-yl)ethyl formate?
2-(4,6-dichloroquinolin-3-yl)ethyl formate has a molecular weight of 270.11 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dichloroquinolin-3-yl)ethyl formate is sourced from PubChem (CID 174637327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).