4-quinolin-4-ylazetidin-2-one

C12H10N2O — CID 55255536

IUPAC4-quinolin-4-ylazetidin-2-one
SMILESO=C1CC(c2ccnc3ccccc23)N1
InChIInChI=1S/C12H10N2O/c15-12-7-11(14-12)9-5-6-13-10-4-2-1-3-8(9)10/h1-6,11H,7H2,(H,14,15)
InChIKeyWROMSMKLKRUBTB-UHFFFAOYSA-N
MW198.23 g/mol
LogP1.80
Rot. Bonds1

About 4-quinolin-4-ylazetidin-2-one

4-quinolin-4-ylazetidin-2-one (PubChem CID 55255536) has the molecular formula C12H10N2O and a molecular weight of 198.23 g/mol. Its IUPAC name is 4-quinolin-4-ylazetidin-2-one.

Molecular Properties

Compound Name4-quinolin-4-ylazetidin-2-one
PubChem CID55255536
Molecular FormulaC12H10N2O
Molecular Weight198.23 g/mol
Exact Mass198.08
IUPAC Name4-quinolin-4-ylazetidin-2-one
SMILESO=C1CC(c2ccnc3ccccc23)N1
InChIInChI=1S/C12H10N2O/c15-12-7-11(14-12)9-5-6-13-10-4-2-1-3-8(9)10/h1-6,11H,7H2,(H,14,15)
InChIKeyWROMSMKLKRUBTB-UHFFFAOYSA-N
XLogP1.80
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-quinolin-4-ylazetidin-2-one?
The IUPAC name of 4-quinolin-4-ylazetidin-2-one (CID 55255536) is 4-quinolin-4-ylazetidin-2-one.
What is the SMILES notation for 4-quinolin-4-ylazetidin-2-one?
The canonical SMILES for 4-quinolin-4-ylazetidin-2-one is O=C1CC(c2ccnc3ccccc23)N1.
What is the InChIKey of 4-quinolin-4-ylazetidin-2-one?
The InChIKey is WROMSMKLKRUBTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O/c15-12-7-11(14-12)9-5-6-13-10-4-2-1-3-8(9)10/h1-6,11H,7H2,(H,14,15).
What are the key properties of 4-quinolin-4-ylazetidin-2-one?
4-quinolin-4-ylazetidin-2-one has a molecular weight of 198.23 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-quinolin-4-ylazetidin-2-one is sourced from PubChem (CID 55255536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).