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

C21H18FN3O3 — CID 15859257

IUPACN-[[3-(3-fluoro-4-quinolin-6-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NCC1CN(c2ccc(-c3ccc4ncccc4c3)c(F)c2)C(=O)O1
InChIInChI=1S/C21H18FN3O3/c1-13(26)24-11-17-12-25(21(27)28-17)16-5-6-18(19(22)10-16)14-4-7-20-15(9-14)3-2-8-23-20/h2-10,17H,11-12H2,1H3,(H,24,26)
InChIKeyPVXRGJFQLOBNSM-UHFFFAOYSA-N
MW379.39 g/mol
LogP3.50
Rot. Bonds4

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

N-[[3-(3-fluoro-4-quinolin-6-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 15859257) has the molecular formula C21H18FN3O3 and a molecular weight of 379.39 g/mol. Its IUPAC name is N-[[3-(3-fluoro-4-quinolin-6-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[3-(3-fluoro-4-quinolin-6-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID15859257
Molecular FormulaC21H18FN3O3
Molecular Weight379.39 g/mol
Exact Mass379.13
IUPAC NameN-[[3-(3-fluoro-4-quinolin-6-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NCC1CN(c2ccc(-c3ccc4ncccc4c3)c(F)c2)C(=O)O1
InChIInChI=1S/C21H18FN3O3/c1-13(26)24-11-17-12-25(21(27)28-17)16-5-6-18(19(22)10-16)14-4-7-20-15(9-14)3-2-8-23-20/h2-10,17H,11-12H2,1H3,(H,24,26)
InChIKeyPVXRGJFQLOBNSM-UHFFFAOYSA-N
XLogP3.50
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.39
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-fluoro-4-quinolin-6-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[3-(3-fluoro-4-quinolin-6-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 15859257) is N-[[3-(3-fluoro-4-quinolin-6-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[3-(3-fluoro-4-quinolin-6-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[3-(3-fluoro-4-quinolin-6-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NCC1CN(c2ccc(-c3ccc4ncccc4c3)c(F)c2)C(=O)O1.
What is the InChIKey of N-[[3-(3-fluoro-4-quinolin-6-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is PVXRGJFQLOBNSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3O3/c1-13(26)24-11-17-12-25(21(27)28-17)16-5-6-18(19(22)10-16)14-4-7-20-15(9-14)3-2-8-23-20/h2-10,17H,11-12H2,1H3,(H,24,26).
What are the key properties of N-[[3-(3-fluoro-4-quinolin-6-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[3-(3-fluoro-4-quinolin-6-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 379.39 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-fluoro-4-quinolin-6-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 15859257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).