4-(5-chloroquinolin-8-yl)azetidin-2-one

C12H9ClN2O — CID 112618582

IUPAC4-(5-chloroquinolin-8-yl)azetidin-2-one
SMILESO=C1CC(c2ccc(Cl)c3cccnc23)N1
InChIInChI=1S/C12H9ClN2O/c13-9-4-3-8(10-6-11(16)15-10)12-7(9)2-1-5-14-12/h1-5,10H,6H2,(H,15,16)
InChIKeyJCAUIHHMQWSOSK-UHFFFAOYSA-N
MW232.67 g/mol
LogP2.45
Rot. Bonds1

About 4-(5-chloroquinolin-8-yl)azetidin-2-one

4-(5-chloroquinolin-8-yl)azetidin-2-one (PubChem CID 112618582) has the molecular formula C12H9ClN2O and a molecular weight of 232.67 g/mol. Its IUPAC name is 4-(5-chloroquinolin-8-yl)azetidin-2-one.

Molecular Properties

Compound Name4-(5-chloroquinolin-8-yl)azetidin-2-one
PubChem CID112618582
Molecular FormulaC12H9ClN2O
Molecular Weight232.67 g/mol
Exact Mass232.04
IUPAC Name4-(5-chloroquinolin-8-yl)azetidin-2-one
SMILESO=C1CC(c2ccc(Cl)c3cccnc23)N1
InChIInChI=1S/C12H9ClN2O/c13-9-4-3-8(10-6-11(16)15-10)12-7(9)2-1-5-14-12/h1-5,10H,6H2,(H,15,16)
InChIKeyJCAUIHHMQWSOSK-UHFFFAOYSA-N
XLogP2.45
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.67
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(5-chloroquinolin-8-yl)azetidin-2-one?
The IUPAC name of 4-(5-chloroquinolin-8-yl)azetidin-2-one (CID 112618582) is 4-(5-chloroquinolin-8-yl)azetidin-2-one.
What is the SMILES notation for 4-(5-chloroquinolin-8-yl)azetidin-2-one?
The canonical SMILES for 4-(5-chloroquinolin-8-yl)azetidin-2-one is O=C1CC(c2ccc(Cl)c3cccnc23)N1.
What is the InChIKey of 4-(5-chloroquinolin-8-yl)azetidin-2-one?
The InChIKey is JCAUIHHMQWSOSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN2O/c13-9-4-3-8(10-6-11(16)15-10)12-7(9)2-1-5-14-12/h1-5,10H,6H2,(H,15,16).
What are the key properties of 4-(5-chloroquinolin-8-yl)azetidin-2-one?
4-(5-chloroquinolin-8-yl)azetidin-2-one has a molecular weight of 232.67 g/mol, XLogP of 2.45, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloroquinolin-8-yl)azetidin-2-one is sourced from PubChem (CID 112618582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).