1-[5-(5-chloroquinolin-8-yl)furan-2-yl]propan-2-one

C16H12ClNO2 — CID 116785285

IUPAC1-[5-(5-chloroquinolin-8-yl)furan-2-yl]propan-2-one
SMILESCC(=O)Cc1ccc(-c2ccc(Cl)c3cccnc23)o1
InChIInChI=1S/C16H12ClNO2/c1-10(19)9-11-4-7-15(20-11)13-5-6-14(17)12-3-2-8-18-16(12)13/h2-8H,9H2,1H3
InChIKeyJMYKRJKUYZOJGI-UHFFFAOYSA-N
MW285.73 g/mol
LogP4.28
Rot. Bonds3

About 1-[5-(5-chloroquinolin-8-yl)furan-2-yl]propan-2-one

1-[5-(5-chloroquinolin-8-yl)furan-2-yl]propan-2-one (PubChem CID 116785285) has the molecular formula C16H12ClNO2 and a molecular weight of 285.73 g/mol. Its IUPAC name is 1-[5-(5-chloroquinolin-8-yl)furan-2-yl]propan-2-one.

Molecular Properties

Compound Name1-[5-(5-chloroquinolin-8-yl)furan-2-yl]propan-2-one
PubChem CID116785285
Molecular FormulaC16H12ClNO2
Molecular Weight285.73 g/mol
Exact Mass285.06
IUPAC Name1-[5-(5-chloroquinolin-8-yl)furan-2-yl]propan-2-one
SMILESCC(=O)Cc1ccc(-c2ccc(Cl)c3cccnc23)o1
InChIInChI=1S/C16H12ClNO2/c1-10(19)9-11-4-7-15(20-11)13-5-6-14(17)12-3-2-8-18-16(12)13/h2-8H,9H2,1H3
InChIKeyJMYKRJKUYZOJGI-UHFFFAOYSA-N
XLogP4.28
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(5-chloroquinolin-8-yl)furan-2-yl]propan-2-one?
The IUPAC name of 1-[5-(5-chloroquinolin-8-yl)furan-2-yl]propan-2-one (CID 116785285) is 1-[5-(5-chloroquinolin-8-yl)furan-2-yl]propan-2-one.
What is the SMILES notation for 1-[5-(5-chloroquinolin-8-yl)furan-2-yl]propan-2-one?
The canonical SMILES for 1-[5-(5-chloroquinolin-8-yl)furan-2-yl]propan-2-one is CC(=O)Cc1ccc(-c2ccc(Cl)c3cccnc23)o1.
What is the InChIKey of 1-[5-(5-chloroquinolin-8-yl)furan-2-yl]propan-2-one?
The InChIKey is JMYKRJKUYZOJGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClNO2/c1-10(19)9-11-4-7-15(20-11)13-5-6-14(17)12-3-2-8-18-16(12)13/h2-8H,9H2,1H3.
What are the key properties of 1-[5-(5-chloroquinolin-8-yl)furan-2-yl]propan-2-one?
1-[5-(5-chloroquinolin-8-yl)furan-2-yl]propan-2-one has a molecular weight of 285.73 g/mol, XLogP of 4.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(5-chloroquinolin-8-yl)furan-2-yl]propan-2-one is sourced from PubChem (CID 116785285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).