(3S,4R)-3-phenoxy-1-phenyl-4-quinolin-3-ylazetidin-2-one

C24H18N2O2 — CID 44825484

IUPAC(3S,4R)-3-phenoxy-1-phenyl-4-quinolin-3-ylazetidin-2-one
SMILESO=C1[C@@H](Oc2ccccc2)[C@@H](c2cnc3ccccc3c2)N1c1ccccc1
InChIInChI=1S/C24H18N2O2/c27-24-23(28-20-12-5-2-6-13-20)22(26(24)19-10-3-1-4-11-19)18-15-17-9-7-8-14-21(17)25-16-18/h1-16,22-23H/t22-,23+/m1/s1
InChIKeyXOQPFJSBIMCXKY-PKTZIBPZSA-N
MW366.42 g/mol
LogP4.77
Rot. Bonds4

About (3S,4R)-3-phenoxy-1-phenyl-4-quinolin-3-ylazetidin-2-one

(3S,4R)-3-phenoxy-1-phenyl-4-quinolin-3-ylazetidin-2-one (PubChem CID 44825484) has the molecular formula C24H18N2O2 and a molecular weight of 366.42 g/mol. Its IUPAC name is (3S,4R)-3-phenoxy-1-phenyl-4-quinolin-3-ylazetidin-2-one.

Molecular Properties

Compound Name(3S,4R)-3-phenoxy-1-phenyl-4-quinolin-3-ylazetidin-2-one
PubChem CID44825484
Molecular FormulaC24H18N2O2
Molecular Weight366.42 g/mol
Exact Mass366.14
IUPAC Name(3S,4R)-3-phenoxy-1-phenyl-4-quinolin-3-ylazetidin-2-one
SMILESO=C1[C@@H](Oc2ccccc2)[C@@H](c2cnc3ccccc3c2)N1c1ccccc1
InChIInChI=1S/C24H18N2O2/c27-24-23(28-20-12-5-2-6-13-20)22(26(24)19-10-3-1-4-11-19)18-15-17-9-7-8-14-21(17)25-16-18/h1-16,22-23H/t22-,23+/m1/s1
InChIKeyXOQPFJSBIMCXKY-PKTZIBPZSA-N
XLogP4.77
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-phenoxy-1-phenyl-4-quinolin-3-ylazetidin-2-one?
The IUPAC name of (3S,4R)-3-phenoxy-1-phenyl-4-quinolin-3-ylazetidin-2-one (CID 44825484) is (3S,4R)-3-phenoxy-1-phenyl-4-quinolin-3-ylazetidin-2-one.
What is the SMILES notation for (3S,4R)-3-phenoxy-1-phenyl-4-quinolin-3-ylazetidin-2-one?
The canonical SMILES for (3S,4R)-3-phenoxy-1-phenyl-4-quinolin-3-ylazetidin-2-one is O=C1[C@@H](Oc2ccccc2)[C@@H](c2cnc3ccccc3c2)N1c1ccccc1.
What is the InChIKey of (3S,4R)-3-phenoxy-1-phenyl-4-quinolin-3-ylazetidin-2-one?
The InChIKey is XOQPFJSBIMCXKY-PKTZIBPZSA-N. The full InChI is InChI=1S/C24H18N2O2/c27-24-23(28-20-12-5-2-6-13-20)22(26(24)19-10-3-1-4-11-19)18-15-17-9-7-8-14-21(17)25-16-18/h1-16,22-23H/t22-,23+/m1/s1.
What are the key properties of (3S,4R)-3-phenoxy-1-phenyl-4-quinolin-3-ylazetidin-2-one?
(3S,4R)-3-phenoxy-1-phenyl-4-quinolin-3-ylazetidin-2-one has a molecular weight of 366.42 g/mol, XLogP of 4.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-phenoxy-1-phenyl-4-quinolin-3-ylazetidin-2-one is sourced from PubChem (CID 44825484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).