N-[[3-(3,5-difluoro-4-quinolin-6-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C21H17F2N3O3 — CID 19418133

IUPACN-[[3-(3,5-difluoro-4-quinolin-6-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NCC1CN(c2cc(F)c(-c3ccc4ncccc4c3)c(F)c2)C(=O)O1
InChIInChI=1S/C21H17F2N3O3/c1-12(27)25-10-16-11-26(21(28)29-16)15-8-17(22)20(18(23)9-15)14-4-5-19-13(7-14)3-2-6-24-19/h2-9,16H,10-11H2,1H3,(H,25,27)
InChIKeyQNUYPBLBCSJROF-UHFFFAOYSA-N
MW397.38 g/mol
LogP3.64
Rot. Bonds4

About N-[[3-(3,5-difluoro-4-quinolin-6-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[3-(3,5-difluoro-4-quinolin-6-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 19418133) has the molecular formula C21H17F2N3O3 and a molecular weight of 397.38 g/mol. Its IUPAC name is N-[[3-(3,5-difluoro-4-quinolin-6-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[3-(3,5-difluoro-4-quinolin-6-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID19418133
Molecular FormulaC21H17F2N3O3
Molecular Weight397.38 g/mol
Exact Mass397.12
IUPAC NameN-[[3-(3,5-difluoro-4-quinolin-6-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NCC1CN(c2cc(F)c(-c3ccc4ncccc4c3)c(F)c2)C(=O)O1
InChIInChI=1S/C21H17F2N3O3/c1-12(27)25-10-16-11-26(21(28)29-16)15-8-17(22)20(18(23)9-15)14-4-5-19-13(7-14)3-2-6-24-19/h2-9,16H,10-11H2,1H3,(H,25,27)
InChIKeyQNUYPBLBCSJROF-UHFFFAOYSA-N
XLogP3.64
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.38
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(3,5-difluoro-4-quinolin-6-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[3-(3,5-difluoro-4-quinolin-6-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 19418133) is N-[[3-(3,5-difluoro-4-quinolin-6-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[3-(3,5-difluoro-4-quinolin-6-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[3-(3,5-difluoro-4-quinolin-6-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NCC1CN(c2cc(F)c(-c3ccc4ncccc4c3)c(F)c2)C(=O)O1.
What is the InChIKey of N-[[3-(3,5-difluoro-4-quinolin-6-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is QNUYPBLBCSJROF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F2N3O3/c1-12(27)25-10-16-11-26(21(28)29-16)15-8-17(22)20(18(23)9-15)14-4-5-19-13(7-14)3-2-6-24-19/h2-9,16H,10-11H2,1H3,(H,25,27).
What are the key properties of N-[[3-(3,5-difluoro-4-quinolin-6-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[3-(3,5-difluoro-4-quinolin-6-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 397.38 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3,5-difluoro-4-quinolin-6-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 19418133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).