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

C24H22ClF2N3O4 — CID 118496821

IUPAC3-[3-[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one;hydrochloride
SMILESCl.O=C(c1cccc(N2CCOC2=O)c1)N1CCC(F)(F)[C@@H](Oc2ccc3ccccc3n2)C1
InChIInChI=1S/C24H21F2N3O4.ClH/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;1H/t20-;/m0./s1
InChIKeyDWXIGLZRFXRUPZ-BDQAORGHSA-N
MW489.91 g/mol
LogP4.54
Rot. Bonds4

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

3-[3-[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one;hydrochloride (PubChem CID 118496821) has the molecular formula C24H22ClF2N3O4 and a molecular weight of 489.91 g/mol. Its IUPAC name is 3-[3-[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one;hydrochloride.

Molecular Properties

Compound Name3-[3-[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one;hydrochloride
PubChem CID118496821
Molecular FormulaC24H22ClF2N3O4
Molecular Weight489.91 g/mol
Exact Mass489.13
IUPAC Name3-[3-[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one;hydrochloride
SMILESCl.O=C(c1cccc(N2CCOC2=O)c1)N1CCC(F)(F)[C@@H](Oc2ccc3ccccc3n2)C1
InChIInChI=1S/C24H21F2N3O4.ClH/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;1H/t20-;/m0./s1
InChIKeyDWXIGLZRFXRUPZ-BDQAORGHSA-N
XLogP4.54
TPSA71.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.91
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[3-[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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;hydrochloride?
The IUPAC name of 3-[3-[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one;hydrochloride (CID 118496821) is 3-[3-[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one;hydrochloride.
What is the SMILES notation for 3-[3-[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one;hydrochloride?
The canonical SMILES for 3-[3-[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one;hydrochloride is Cl.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;hydrochloride?
The InChIKey is DWXIGLZRFXRUPZ-BDQAORGHSA-N. The full InChI is InChI=1S/C24H21F2N3O4.ClH/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;1H/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;hydrochloride?
3-[3-[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one;hydrochloride has a molecular weight of 489.91 g/mol, XLogP of 4.54, 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;hydrochloride is sourced from PubChem (CID 118496821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).