(2,4-dichloroquinolin-6-yl)methyl formate

C11H7Cl2NO2 — CID 174805538

IUPAC(2,4-dichloroquinolin-6-yl)methyl formate
SMILESO=COCc1ccc2nc(Cl)cc(Cl)c2c1
InChIInChI=1S/C11H7Cl2NO2/c12-9-4-11(13)14-10-2-1-7(3-8(9)10)5-16-6-15/h1-4,6H,5H2
InChIKeyBQWNFNIWGKEYEH-UHFFFAOYSA-N
MW256.09 g/mol
LogP3.21
Rot. Bonds3

About (2,4-dichloroquinolin-6-yl)methyl formate

(2,4-dichloroquinolin-6-yl)methyl formate (PubChem CID 174805538) has the molecular formula C11H7Cl2NO2 and a molecular weight of 256.09 g/mol. Its IUPAC name is (2,4-dichloroquinolin-6-yl)methyl formate.

Molecular Properties

Compound Name(2,4-dichloroquinolin-6-yl)methyl formate
PubChem CID174805538
Molecular FormulaC11H7Cl2NO2
Molecular Weight256.09 g/mol
Exact Mass254.99
IUPAC Name(2,4-dichloroquinolin-6-yl)methyl formate
SMILESO=COCc1ccc2nc(Cl)cc(Cl)c2c1
InChIInChI=1S/C11H7Cl2NO2/c12-9-4-11(13)14-10-2-1-7(3-8(9)10)5-16-6-15/h1-4,6H,5H2
InChIKeyBQWNFNIWGKEYEH-UHFFFAOYSA-N
XLogP3.21
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.09
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,4-dichloroquinolin-6-yl)methyl formate?
The IUPAC name of (2,4-dichloroquinolin-6-yl)methyl formate (CID 174805538) is (2,4-dichloroquinolin-6-yl)methyl formate.
What is the SMILES notation for (2,4-dichloroquinolin-6-yl)methyl formate?
The canonical SMILES for (2,4-dichloroquinolin-6-yl)methyl formate is O=COCc1ccc2nc(Cl)cc(Cl)c2c1.
What is the InChIKey of (2,4-dichloroquinolin-6-yl)methyl formate?
The InChIKey is BQWNFNIWGKEYEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl2NO2/c12-9-4-11(13)14-10-2-1-7(3-8(9)10)5-16-6-15/h1-4,6H,5H2.
What are the key properties of (2,4-dichloroquinolin-6-yl)methyl formate?
(2,4-dichloroquinolin-6-yl)methyl formate has a molecular weight of 256.09 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichloroquinolin-6-yl)methyl formate is sourced from PubChem (CID 174805538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).