(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'}

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Related Compounds

(7-chloro-3-methylquinolin-8-yl) hydrogen carbonate
CID 66867776
3,7-dichloroquinoline-8-carboxylic acid;hydrochloride
CID 70394889
3,7-dichloroquinoline-8-carbonyl chloride
CID 13090840
3,7-dichloro-N-ethoxyquinoline-8-carboxamide
CID 15595572
6,13-dichloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,9,12,14-heptaen-2-one
CID 59927631
ethyl 3-(3,7-dichloroquinolin-8-yl)prop-2-enoate
CID 86250782
3-(3,7-dichloroquinolin-8-yl)-N-methyl-N-phenylprop-2-enamide
CID 54061101
7-chloro-3-methylquinoline-8-carboxylic acid;hydrochloride
CID 174825342
1,10-phenanthroline-3,8-dicarbonyl chloride
CID 59027322
(3,6-dichloroquinolin-2-yl) hydrogen carbonate
CID 129078802
3,7-dichloro-8-[(4-methylphenoxy)methyl]quinoline
CID 13090799
6,8-dichloroquinoline-2-carboxylic acid
CID 82243861

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).