7-[3-[[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]carbamoyl]piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid

C30H30F2N6O7 — CID 10168067

IUPAC7-[3-[[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]carbamoyl]piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
SMILESCC(=O)NC[C@H]1CN(c2ccc(NC(=O)C3CN(c4cc5c(cc4F)c(=O)c(C(=O)O)cn5C4CC4)CCN3)c(F)c2)C(=O)O1
InChIInChI=1S/C30H30F2N6O7/c1-15(39)34-11-18-12-38(30(44)45-18)17-4-5-23(21(31)8-17)35-28(41)24-14-36(7-6-33-24)26-10-25-19(9-22(26)32)27(40)20(29(42)43)13-37(25)16-2-3-16/h4-5,8-10,13,16,18,24,33H,2-3,6-7,11-12,14H2,1H3,(H,34,39)(H,35,41)(H,42,43)/t18-,24?/m0/s1
InChIKeyAZIAQHXRRNBRTO-VEXWJQHLSA-N
MW624.60 g/mol
LogP2.19
Rot. Bonds8

About 7-[3-[[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]carbamoyl]piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid

7-[3-[[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]carbamoyl]piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid (PubChem CID 10168067) has the molecular formula C30H30F2N6O7 and a molecular weight of 624.60 g/mol. Its IUPAC name is 7-[3-[[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]carbamoyl]piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name7-[3-[[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]carbamoyl]piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
PubChem CID10168067
Molecular FormulaC30H30F2N6O7
Molecular Weight624.60 g/mol
Exact Mass624.21
IUPAC Name7-[3-[[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]carbamoyl]piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
SMILESCC(=O)NC[C@H]1CN(c2ccc(NC(=O)C3CN(c4cc5c(cc4F)c(=O)c(C(=O)O)cn5C4CC4)CCN3)c(F)c2)C(=O)O1
InChIInChI=1S/C30H30F2N6O7/c1-15(39)34-11-18-12-38(30(44)45-18)17-4-5-23(21(31)8-17)35-28(41)24-14-36(7-6-33-24)26-10-25-19(9-22(26)32)27(40)20(29(42)43)13-37(25)16-2-3-16/h4-5,8-10,13,16,18,24,33H,2-3,6-7,11-12,14H2,1H3,(H,34,39)(H,35,41)(H,42,43)/t18-,24?/m0/s1
InChIKeyAZIAQHXRRNBRTO-VEXWJQHLSA-N
XLogP2.19
TPSA162.31 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500624.60
LogP ≤ 52.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 7-[3-[[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]carbamoyl]piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid with MolForge

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Related Compounds

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
7-[3-[[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-N-ethyl-2-fluoroanilino]methyl]piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 10282893
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
7-[4-[[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenoxy]methyl]-4-hydroxypiperidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 11273606
1-cyclopropyl-7-[4-[4-[(5S)-5-[(ethylcarbamothioylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazin-1-yl]-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 10145870
1-cyclopropyl-7-[4-[4-[(5S)-5-ethyl-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazin-1-yl]-6-fluoro-4-oxoquinoline-3-carboxylic acid;ethane;pentane
CID 143044925
1-cyclopropyl-6-fluoro-7-[(3R)-3-[[2-fluoro-4-[(5R)-5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenoxy]methyl]pyrrolidin-1-yl]-4-oxoquinoline-3-carboxylic acid
CID 24858573
4-[(5R)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorobenzoic acid
CID 129386385
7-[4-[4-[5-[(1S)-1-amino-2-ethoxy-2-oxoethyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 22210893
N-[[(5S)-3-[4-[4-[2-[2-[[1-cyclopropyl-3-(dihydroxymethyl)-6-fluoro-4-oxoquinolin-7-yl]amino]ethylamino]ethyl]piperazin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 163524317
N-[[(5S)-3-[4-[(3S,4R)-3,4-dihydroxypiperidin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 59994592
ethyl 7-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylate
CID 10304087

Frequently Asked Questions

What is the IUPAC name of 7-[3-[[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]carbamoyl]piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid?
The IUPAC name of 7-[3-[[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]carbamoyl]piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid (CID 10168067) is 7-[3-[[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]carbamoyl]piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid.
What is the SMILES notation for 7-[3-[[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]carbamoyl]piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid?
The canonical SMILES for 7-[3-[[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]carbamoyl]piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid is CC(=O)NC[C@H]1CN(c2ccc(NC(=O)C3CN(c4cc5c(cc4F)c(=O)c(C(=O)O)cn5C4CC4)CCN3)c(F)c2)C(=O)O1.
What is the InChIKey of 7-[3-[[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]carbamoyl]piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid?
The InChIKey is AZIAQHXRRNBRTO-VEXWJQHLSA-N. The full InChI is InChI=1S/C30H30F2N6O7/c1-15(39)34-11-18-12-38(30(44)45-18)17-4-5-23(21(31)8-17)35-28(41)24-14-36(7-6-33-24)26-10-25-19(9-22(26)32)27(40)20(29(42)43)13-37(25)16-2-3-16/h4-5,8-10,13,16,18,24,33H,2-3,6-7,11-12,14H2,1H3,(H,34,39)(H,35,41)(H,42,43)/t18-,24?/m0/s1.
What are the key properties of 7-[3-[[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]carbamoyl]piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid?
7-[3-[[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]carbamoyl]piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid has a molecular weight of 624.60 g/mol, XLogP of 2.19, 8 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-[[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]carbamoyl]piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 10168067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).