1-[4-[(5S)-5-acetamido-4-methyl-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid

C27H27F2N5O6 — CID 20619473

IUPAC1-[4-[(5S)-5-acetamido-4-methyl-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid
SMILESCC(=O)N[C@H]1OC(=O)N(c2ccc(-n3cc(C(=O)O)c(=O)c4cc(F)c(N5CCN(C)CC5)cc43)c(F)c2)C1C
InChIInChI=1S/C27H27F2N5O6/c1-14-25(30-15(2)35)40-27(39)34(14)16-4-5-21(19(28)10-16)33-13-18(26(37)38)24(36)17-11-20(29)23(12-22(17)33)32-8-6-31(3)7-9-32/h4-5,10-14,25H,6-9H2,1-3H3,(H,30,35)(H,37,38)/t14?,25-/m0/s1
InChIKeyOAEZZNJBUQSVOI-CCKNNCGLSA-N
MW555.54 g/mol
LogP2.53
Rot. Bonds5

About 1-[4-[(5S)-5-acetamido-4-methyl-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid

1-[4-[(5S)-5-acetamido-4-methyl-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid (PubChem CID 20619473) has the molecular formula C27H27F2N5O6 and a molecular weight of 555.54 g/mol. Its IUPAC name is 1-[4-[(5S)-5-acetamido-4-methyl-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name1-[4-[(5S)-5-acetamido-4-methyl-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid
PubChem CID20619473
Molecular FormulaC27H27F2N5O6
Molecular Weight555.54 g/mol
Exact Mass555.19
IUPAC Name1-[4-[(5S)-5-acetamido-4-methyl-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid
SMILESCC(=O)N[C@H]1OC(=O)N(c2ccc(-n3cc(C(=O)O)c(=O)c4cc(F)c(N5CCN(C)CC5)cc43)c(F)c2)C1C
InChIInChI=1S/C27H27F2N5O6/c1-14-25(30-15(2)35)40-27(39)34(14)16-4-5-21(19(28)10-16)33-13-18(26(37)38)24(36)17-11-20(29)23(12-22(17)33)32-8-6-31(3)7-9-32/h4-5,10-14,25H,6-9H2,1-3H3,(H,30,35)(H,37,38)/t14?,25-/m0/s1
InChIKeyOAEZZNJBUQSVOI-CCKNNCGLSA-N
XLogP2.53
TPSA124.42 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500555.54
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-[4-[(5S)-5-acetamido-4-methyl-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

6-fluoro-1-[2-fluoro-4-(4-phenylpiperazin-1-yl)phenyl]-4-oxo-7-(4-phenylpiperazin-1-yl)quinoline-3-carboxylic acid
CID 15712690
6-fluoro-1-(2-fluoro-4-piperazin-1-ylphenyl)-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid
CID 15712696
6-fluoro-1-(1-methyl-4-nitropyrrol-3-yl)-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid
CID 10365327
1-(4-amino-2-fluorophenyl)-6-fluoro-7-morpholin-4-yl-4-oxoquinoline-3-carboxylic acid
CID 5270917
1-(carboxymethyl)-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid
CID 139222533
1-ethyl-6-(18F)fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid
CID 10892926
1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid;hydrate
CID 19829982
S-[4-[(5S)-5-acetamido-4-methyl-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl] ethanethioate
CID 54232423
6-fluoro-1-(methylamino)-7-(4-methyl-1,4-diazepan-1-yl)-4-oxoquinoline-3-carboxylic acid;hydrochloride
CID 45259291
7-[4-[4-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazin-1-yl]piperidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 59522787
6-fluoro-1-(2-fluoro-4-nitrophenyl)-4-oxo-7-piperidin-1-ylquinoline-3-carboxylic acid
CID 5270922
1-(4-carboxyphenyl)-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid
CID 23878924

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(5S)-5-acetamido-4-methyl-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid?
The IUPAC name of 1-[4-[(5S)-5-acetamido-4-methyl-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid (CID 20619473) is 1-[4-[(5S)-5-acetamido-4-methyl-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid.
What is the SMILES notation for 1-[4-[(5S)-5-acetamido-4-methyl-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid?
The canonical SMILES for 1-[4-[(5S)-5-acetamido-4-methyl-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid is CC(=O)N[C@H]1OC(=O)N(c2ccc(-n3cc(C(=O)O)c(=O)c4cc(F)c(N5CCN(C)CC5)cc43)c(F)c2)C1C.
What is the InChIKey of 1-[4-[(5S)-5-acetamido-4-methyl-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid?
The InChIKey is OAEZZNJBUQSVOI-CCKNNCGLSA-N. The full InChI is InChI=1S/C27H27F2N5O6/c1-14-25(30-15(2)35)40-27(39)34(14)16-4-5-21(19(28)10-16)33-13-18(26(37)38)24(36)17-11-20(29)23(12-22(17)33)32-8-6-31(3)7-9-32/h4-5,10-14,25H,6-9H2,1-3H3,(H,30,35)(H,37,38)/t14?,25-/m0/s1.
What are the key properties of 1-[4-[(5S)-5-acetamido-4-methyl-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid?
1-[4-[(5S)-5-acetamido-4-methyl-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid has a molecular weight of 555.54 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(5S)-5-acetamido-4-methyl-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 20619473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).