3-[3-[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one

C24H21F2N3O4 — CID 90286242

IUPAC3-[3-[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one
SMILESO=C(c1cccc(N2CCOC2=O)c1)N1CCC(F)(F)[C@@H](Oc2ccc3ccccc3n2)C1
InChIInChI=1S/C24H21F2N3O4/c25-24(26)10-11-28(15-20(24)33-21-9-8-16-4-1-2-7-19(16)27-21)22(30)17-5-3-6-18(14-17)29-12-13-32-23(29)31/h1-9,14,20H,10-13,15H2/t20-/m0/s1
InChIKeyDXGCLIRKIMBOCF-FQEVSTJZSA-N
MW453.45 g/mol
LogP4.12
Rot. Bonds4

About 3-[3-[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one

3-[3-[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one (PubChem CID 90286242) has the molecular formula C24H21F2N3O4 and a molecular weight of 453.45 g/mol. Its IUPAC name is 3-[3-[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[3-[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one
PubChem CID90286242
Molecular FormulaC24H21F2N3O4
Molecular Weight453.45 g/mol
Exact Mass453.15
IUPAC Name3-[3-[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one
SMILESO=C(c1cccc(N2CCOC2=O)c1)N1CCC(F)(F)[C@@H](Oc2ccc3ccccc3n2)C1
InChIInChI=1S/C24H21F2N3O4/c25-24(26)10-11-28(15-20(24)33-21-9-8-16-4-1-2-7-19(16)27-21)22(30)17-5-3-6-18(14-17)29-12-13-32-23(29)31/h1-9,14,20H,10-13,15H2/t20-/m0/s1
InChIKeyDXGCLIRKIMBOCF-FQEVSTJZSA-N
XLogP4.12
TPSA71.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.45
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[3-[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one (CID 90286242) is 3-[3-[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[3-[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[3-[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one is O=C(c1cccc(N2CCOC2=O)c1)N1CCC(F)(F)[C@@H](Oc2ccc3ccccc3n2)C1.
What is the InChIKey of 3-[3-[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one?
The InChIKey is DXGCLIRKIMBOCF-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H21F2N3O4/c25-24(26)10-11-28(15-20(24)33-21-9-8-16-4-1-2-7-19(16)27-21)22(30)17-5-3-6-18(14-17)29-12-13-32-23(29)31/h1-9,14,20H,10-13,15H2/t20-/m0/s1.
What are the key properties of 3-[3-[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one?
3-[3-[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one has a molecular weight of 453.45 g/mol, XLogP of 4.12, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 90286242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).