(5,7-dichloroquinolin-8-yl) furan-2-carboxylate

C14H7Cl2NO3 — CID 686057

IUPAC(5,7-dichloroquinolin-8-yl) furan-2-carboxylate
SMILESO=C(Oc1c(Cl)cc(Cl)c2cccnc12)c1ccco1
InChIInChI=1S/C14H7Cl2NO3/c15-9-7-10(16)13(12-8(9)3-1-5-17-12)20-14(18)11-4-2-6-19-11/h1-7H
InChIKeyHIWSNFYJIAPVHH-UHFFFAOYSA-N
MW308.12 g/mol
LogP4.35
Rot. Bonds2

About (5,7-dichloroquinolin-8-yl) furan-2-carboxylate

(5,7-dichloroquinolin-8-yl) furan-2-carboxylate (PubChem CID 686057) has the molecular formula C14H7Cl2NO3 and a molecular weight of 308.12 g/mol. Its IUPAC name is (5,7-dichloroquinolin-8-yl) furan-2-carboxylate.

Molecular Properties

Compound Name(5,7-dichloroquinolin-8-yl) furan-2-carboxylate
PubChem CID686057
Molecular FormulaC14H7Cl2NO3
Molecular Weight308.12 g/mol
Exact Mass306.98
IUPAC Name(5,7-dichloroquinolin-8-yl) furan-2-carboxylate
SMILESO=C(Oc1c(Cl)cc(Cl)c2cccnc12)c1ccco1
InChIInChI=1S/C14H7Cl2NO3/c15-9-7-10(16)13(12-8(9)3-1-5-17-12)20-14(18)11-4-2-6-19-11/h1-7H
InChIKeyHIWSNFYJIAPVHH-UHFFFAOYSA-N
XLogP4.35
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.12
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5,7-Dichloro-8-quinolyl thiophene-2-carboxylate
CID 700833
5-Chloroquinolin-8-yl furan-2-carboxylate
CID 699693
8-Quinolinol, 5,7-dichloro-, acetate (ester)
CID 148563
5-Chloro-7-(morpholinomethyl)quinolin-8-yl furan-2-carboxylate
CID 1279809
2-(5,7-dichloro-2-methylquinolin-8-yl)oxy-N-(furan-2-ylmethyl)acetamide
CID 2381362
Quinolin-8-yl furan-2-carboxylate
CID 739638
[(5,7-Dichloroquinolin-8-yl)oxy]acetic acid
CID 271277
Quinolin-8-yl 2-(2,4-dichlorophenoxy)acetate
CID 345191
5-Chloro-8-quinolinyl 2,4-dichlorobenzoate
CID 1315388
Quinolin-8-yl 2,4-dichlorobenzoate
CID 792295
Methyl 5-[(5-chloro-7-iodoquinolin-8-yl)oxymethyl]furan-2-carboxylate
CID 16261973
5,7-Dichloro-8-benzoyloxyquinoline
CID 146449

Frequently Asked Questions

What is the IUPAC name of (5,7-dichloroquinolin-8-yl) furan-2-carboxylate?
The IUPAC name of (5,7-dichloroquinolin-8-yl) furan-2-carboxylate (CID 686057) is (5,7-dichloroquinolin-8-yl) furan-2-carboxylate.
What is the SMILES notation for (5,7-dichloroquinolin-8-yl) furan-2-carboxylate?
The canonical SMILES for (5,7-dichloroquinolin-8-yl) furan-2-carboxylate is O=C(Oc1c(Cl)cc(Cl)c2cccnc12)c1ccco1.
What is the InChIKey of (5,7-dichloroquinolin-8-yl) furan-2-carboxylate?
The InChIKey is HIWSNFYJIAPVHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7Cl2NO3/c15-9-7-10(16)13(12-8(9)3-1-5-17-12)20-14(18)11-4-2-6-19-11/h1-7H.
What are the key properties of (5,7-dichloroquinolin-8-yl) furan-2-carboxylate?
(5,7-dichloroquinolin-8-yl) furan-2-carboxylate has a molecular weight of 308.12 g/mol, XLogP of 4.35, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5,7-dichloroquinolin-8-yl) furan-2-carboxylate is sourced from PubChem (CID 686057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).