7-chloro-5-(5-hydroxy-1-benzofuran-2-yl)quinolin-8-ol

C17H10ClNO3 — CID 127037472

IUPAC7-chloro-5-(5-hydroxy-1-benzofuran-2-yl)quinolin-8-ol
SMILESOc1ccc2oc(-c3cc(Cl)c(O)c4ncccc34)cc2c1
InChIInChI=1S/C17H10ClNO3/c18-13-8-12(11-2-1-5-19-16(11)17(13)21)15-7-9-6-10(20)3-4-14(9)22-15/h1-8,20-21H
InChIKeyJGXYRMHZQJZSQI-UHFFFAOYSA-N
MW311.72 g/mol
LogP4.71
Rot. Bonds1

About 7-chloro-5-(5-hydroxy-1-benzofuran-2-yl)quinolin-8-ol

7-chloro-5-(5-hydroxy-1-benzofuran-2-yl)quinolin-8-ol (PubChem CID 127037472) has the molecular formula C17H10ClNO3 and a molecular weight of 311.72 g/mol. Its IUPAC name is 7-chloro-5-(5-hydroxy-1-benzofuran-2-yl)quinolin-8-ol.

Molecular Properties

Compound Name7-chloro-5-(5-hydroxy-1-benzofuran-2-yl)quinolin-8-ol
PubChem CID127037472
Molecular FormulaC17H10ClNO3
Molecular Weight311.72 g/mol
Exact Mass311.03
IUPAC Name7-chloro-5-(5-hydroxy-1-benzofuran-2-yl)quinolin-8-ol
SMILESOc1ccc2oc(-c3cc(Cl)c(O)c4ncccc34)cc2c1
InChIInChI=1S/C17H10ClNO3/c18-13-8-12(11-2-1-5-19-16(11)17(13)21)15-7-9-6-10(20)3-4-14(9)22-15/h1-8,20-21H
InChIKeyJGXYRMHZQJZSQI-UHFFFAOYSA-N
XLogP4.71
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.72
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-(5-hydroxy-1-benzofuran-2-yl)quinolin-8-ol?
The IUPAC name of 7-chloro-5-(5-hydroxy-1-benzofuran-2-yl)quinolin-8-ol (CID 127037472) is 7-chloro-5-(5-hydroxy-1-benzofuran-2-yl)quinolin-8-ol.
What is the SMILES notation for 7-chloro-5-(5-hydroxy-1-benzofuran-2-yl)quinolin-8-ol?
The canonical SMILES for 7-chloro-5-(5-hydroxy-1-benzofuran-2-yl)quinolin-8-ol is Oc1ccc2oc(-c3cc(Cl)c(O)c4ncccc34)cc2c1.
What is the InChIKey of 7-chloro-5-(5-hydroxy-1-benzofuran-2-yl)quinolin-8-ol?
The InChIKey is JGXYRMHZQJZSQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClNO3/c18-13-8-12(11-2-1-5-19-16(11)17(13)21)15-7-9-6-10(20)3-4-14(9)22-15/h1-8,20-21H.
What are the key properties of 7-chloro-5-(5-hydroxy-1-benzofuran-2-yl)quinolin-8-ol?
7-chloro-5-(5-hydroxy-1-benzofuran-2-yl)quinolin-8-ol has a molecular weight of 311.72 g/mol, XLogP of 4.71, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-(5-hydroxy-1-benzofuran-2-yl)quinolin-8-ol is sourced from PubChem (CID 127037472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).