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

C24H20F3N3O4 — CID 90298328

IUPAC3-[3-[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidine-1-carbonyl]-4-fluorophenyl]-1,3-oxazolidin-2-one
SMILESO=C(c1cc(N2CCOC2=O)ccc1F)N1CCC(F)(F)[C@@H](Oc2ccc3ccccc3n2)C1
InChIInChI=1S/C24H20F3N3O4/c25-18-7-6-16(30-11-12-33-23(30)32)13-17(18)22(31)29-10-9-24(26,27)20(14-29)34-21-8-5-15-3-1-2-4-19(15)28-21/h1-8,13,20H,9-12,14H2/t20-/m0/s1
InChIKeyQTEYUAZDHRAIGH-FQEVSTJZSA-N
MW471.44 g/mol
LogP4.26
Rot. Bonds4

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

3-[3-[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidine-1-carbonyl]-4-fluorophenyl]-1,3-oxazolidin-2-one (PubChem CID 90298328) has the molecular formula C24H20F3N3O4 and a molecular weight of 471.44 g/mol. Its IUPAC name is 3-[3-[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidine-1-carbonyl]-4-fluorophenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[3-[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidine-1-carbonyl]-4-fluorophenyl]-1,3-oxazolidin-2-one
PubChem CID90298328
Molecular FormulaC24H20F3N3O4
Molecular Weight471.44 g/mol
Exact Mass471.14
IUPAC Name3-[3-[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidine-1-carbonyl]-4-fluorophenyl]-1,3-oxazolidin-2-one
SMILESO=C(c1cc(N2CCOC2=O)ccc1F)N1CCC(F)(F)[C@@H](Oc2ccc3ccccc3n2)C1
InChIInChI=1S/C24H20F3N3O4/c25-18-7-6-16(30-11-12-33-23(30)32)13-17(18)22(31)29-10-9-24(26,27)20(14-29)34-21-8-5-15-3-1-2-4-19(15)28-21/h1-8,13,20H,9-12,14H2/t20-/m0/s1
InChIKeyQTEYUAZDHRAIGH-FQEVSTJZSA-N
XLogP4.26
TPSA71.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.44
LogP ≤ 54.26
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]-4-fluorophenyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[3-[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidine-1-carbonyl]-4-fluorophenyl]-1,3-oxazolidin-2-one (CID 90298328) is 3-[3-[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidine-1-carbonyl]-4-fluorophenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[3-[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidine-1-carbonyl]-4-fluorophenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[3-[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidine-1-carbonyl]-4-fluorophenyl]-1,3-oxazolidin-2-one is O=C(c1cc(N2CCOC2=O)ccc1F)N1CCC(F)(F)[C@@H](Oc2ccc3ccccc3n2)C1.
What is the InChIKey of 3-[3-[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidine-1-carbonyl]-4-fluorophenyl]-1,3-oxazolidin-2-one?
The InChIKey is QTEYUAZDHRAIGH-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H20F3N3O4/c25-18-7-6-16(30-11-12-33-23(30)32)13-17(18)22(31)29-10-9-24(26,27)20(14-29)34-21-8-5-15-3-1-2-4-19(15)28-21/h1-8,13,20H,9-12,14H2/t20-/m0/s1.
What are the key properties of 3-[3-[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidine-1-carbonyl]-4-fluorophenyl]-1,3-oxazolidin-2-one?
3-[3-[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidine-1-carbonyl]-4-fluorophenyl]-1,3-oxazolidin-2-one has a molecular weight of 471.44 g/mol, XLogP of 4.26, 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]-4-fluorophenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 90298328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).