(3,7-dichloroquinolin-8-yl) hydrogen carbonate

C10H5Cl2NO3 — CID 23205730

IUPAC(3,7-dichloroquinolin-8-yl) hydrogen carbonate
SMILESO=C(O)Oc1c(Cl)ccc2cc(Cl)cnc12
InChIInChI=1S/C10H5Cl2NO3/c11-6-3-5-1-2-7(12)9(16-10(14)15)8(5)13-4-6/h1-4H,(H,14,15)
InChIKeyYRJHFYBDBWSULW-UHFFFAOYSA-N
MW258.06 g/mol
LogP3.60
Rot. Bonds1

About (3,7-dichloroquinolin-8-yl) hydrogen carbonate

(3,7-dichloroquinolin-8-yl) hydrogen carbonate (PubChem CID 23205730) has the molecular formula C10H5Cl2NO3 and a molecular weight of 258.06 g/mol. Its IUPAC name is (3,7-dichloroquinolin-8-yl) hydrogen carbonate.

Molecular Properties

Compound Name(3,7-dichloroquinolin-8-yl) hydrogen carbonate
PubChem CID23205730
Molecular FormulaC10H5Cl2NO3
Molecular Weight258.06 g/mol
Exact Mass256.96
IUPAC Name(3,7-dichloroquinolin-8-yl) hydrogen carbonate
SMILESO=C(O)Oc1c(Cl)ccc2cc(Cl)cnc12
InChIInChI=1S/C10H5Cl2NO3/c11-6-3-5-1-2-7(12)9(16-10(14)15)8(5)13-4-6/h1-4H,(H,14,15)
InChIKeyYRJHFYBDBWSULW-UHFFFAOYSA-N
XLogP3.60
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.06
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3,7-dichloroquinolin-8-yl) hydrogen carbonate 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 (3,7-dichloroquinolin-8-yl) hydrogen carbonate?
The IUPAC name of (3,7-dichloroquinolin-8-yl) hydrogen carbonate (CID 23205730) is (3,7-dichloroquinolin-8-yl) hydrogen carbonate.
What is the SMILES notation for (3,7-dichloroquinolin-8-yl) hydrogen carbonate?
The canonical SMILES for (3,7-dichloroquinolin-8-yl) hydrogen carbonate is O=C(O)Oc1c(Cl)ccc2cc(Cl)cnc12.
What is the InChIKey of (3,7-dichloroquinolin-8-yl) hydrogen carbonate?
The InChIKey is YRJHFYBDBWSULW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5Cl2NO3/c11-6-3-5-1-2-7(12)9(16-10(14)15)8(5)13-4-6/h1-4H,(H,14,15).
What are the key properties of (3,7-dichloroquinolin-8-yl) hydrogen carbonate?
(3,7-dichloroquinolin-8-yl) hydrogen carbonate has a molecular weight of 258.06 g/mol, XLogP of 3.60, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,7-dichloroquinolin-8-yl) hydrogen carbonate is sourced from PubChem (CID 23205730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).