8-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenoxy]piperidin-1-yl]-1-cyclopropyl-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid

C31H32F2N4O7 — CID 25027172

IUPAC8-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenoxy]piperidin-1-yl]-1-cyclopropyl-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid
SMILESCC(=O)NC[C@H]1CN(c2ccc(OC3CCN(c4c(F)cn5c(=O)c(C(=O)O)cc(C6CC6)c5c4C)CC3)c(F)c2)C(=O)O1
InChIInChI=1S/C31H32F2N4O7/c1-16-27-22(18-3-4-18)12-23(30(40)41)29(39)37(27)15-25(33)28(16)35-9-7-20(8-10-35)43-26-6-5-19(11-24(26)32)36-14-21(44-31(36)42)13-34-17(2)38/h5-6,11-12,15,18,20-21H,3-4,7-10,13-14H2,1-2H3,(H,34,38)(H,40,41)/t21-/m0/s1
InChIKeyBZXGOTUXFLDKRC-NRFANRHFSA-N
MW610.61 g/mol
LogP3.97
Rot. Bonds8

About 8-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenoxy]piperidin-1-yl]-1-cyclopropyl-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid

8-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenoxy]piperidin-1-yl]-1-cyclopropyl-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid (PubChem CID 25027172) has the molecular formula C31H32F2N4O7 and a molecular weight of 610.61 g/mol. Its IUPAC name is 8-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenoxy]piperidin-1-yl]-1-cyclopropyl-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid.

Molecular Properties

Compound Name8-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenoxy]piperidin-1-yl]-1-cyclopropyl-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid
PubChem CID25027172
Molecular FormulaC31H32F2N4O7
Molecular Weight610.61 g/mol
Exact Mass610.22
IUPAC Name8-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenoxy]piperidin-1-yl]-1-cyclopropyl-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid
SMILESCC(=O)NC[C@H]1CN(c2ccc(OC3CCN(c4c(F)cn5c(=O)c(C(=O)O)cc(C6CC6)c5c4C)CC3)c(F)c2)C(=O)O1
InChIInChI=1S/C31H32F2N4O7/c1-16-27-22(18-3-4-18)12-23(30(40)41)29(39)37(27)15-25(33)28(16)35-9-7-20(8-10-35)43-26-6-5-19(11-24(26)32)36-14-21(44-31(36)42)13-34-17(2)38/h5-6,11-12,15,18,20-21H,3-4,7-10,13-14H2,1-2H3,(H,34,38)(H,40,41)/t21-/m0/s1
InChIKeyBZXGOTUXFLDKRC-NRFANRHFSA-N
XLogP3.97
TPSA129.89 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500610.61
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 8-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenoxy]piperidin-1-yl]-1-cyclopropyl-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid with MolForge

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Related Compounds

8-[4-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenoxy]piperidin-1-yl]-1-cyclopropyl-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid
CID 87510525
7-[4-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenoxy]piperidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 76547992
N-[[(5S)-3-[4-[1-(2,1,3-benzoxadiazol-5-yl)piperidin-4-yl]oxy-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 11626921
4-[(5R)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorobenzoic acid
CID 129386385
N-[[3-[3-fluoro-4-(oxan-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 22625716
N-[[(5S)-3-[3-fluoro-4-[1-[3-(trifluoromethyl)benzoyl]piperidin-4-yl]oxyphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 12051219
N-[[(5S)-3-[4-[1-(3-cyanobenzoyl)piperidin-4-yl]oxy-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10299464
N-[[(5S)-3-(4-acetyl-3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 15164522
N-[[3-[4-(1,1-dioxothian-4-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 18613632
N-[[(5S)-3-[4-[(3S,4R)-3,4-dihydroxypiperidin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 59994592
N-[[(5S)-3-[3-fluoro-4-(3-hydroxy-2-oxopyrrolidin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 142714003
N-[[(6R)-3-(3-fluoro-4-pyrrolidin-3-yloxyphenyl)-2-oxo-1,3-oxazinan-6-yl]methyl]acetamide
CID 143013583

Frequently Asked Questions

What is the IUPAC name of 8-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenoxy]piperidin-1-yl]-1-cyclopropyl-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid?
The IUPAC name of 8-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenoxy]piperidin-1-yl]-1-cyclopropyl-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid (CID 25027172) is 8-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenoxy]piperidin-1-yl]-1-cyclopropyl-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid.
What is the SMILES notation for 8-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenoxy]piperidin-1-yl]-1-cyclopropyl-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid?
The canonical SMILES for 8-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenoxy]piperidin-1-yl]-1-cyclopropyl-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid is CC(=O)NC[C@H]1CN(c2ccc(OC3CCN(c4c(F)cn5c(=O)c(C(=O)O)cc(C6CC6)c5c4C)CC3)c(F)c2)C(=O)O1.
What is the InChIKey of 8-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenoxy]piperidin-1-yl]-1-cyclopropyl-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid?
The InChIKey is BZXGOTUXFLDKRC-NRFANRHFSA-N. The full InChI is InChI=1S/C31H32F2N4O7/c1-16-27-22(18-3-4-18)12-23(30(40)41)29(39)37(27)15-25(33)28(16)35-9-7-20(8-10-35)43-26-6-5-19(11-24(26)32)36-14-21(44-31(36)42)13-34-17(2)38/h5-6,11-12,15,18,20-21H,3-4,7-10,13-14H2,1-2H3,(H,34,38)(H,40,41)/t21-/m0/s1.
What are the key properties of 8-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenoxy]piperidin-1-yl]-1-cyclopropyl-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid?
8-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenoxy]piperidin-1-yl]-1-cyclopropyl-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid has a molecular weight of 610.61 g/mol, XLogP of 3.97, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenoxy]piperidin-1-yl]-1-cyclopropyl-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid is sourced from PubChem (CID 25027172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).