7-[7-(5-carbamoyl-2-oxo-1,3-oxazolidin-3-yl)-1,3,4,5-tetrahydro-2-benzazepin-2-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid

C28H27FN4O7 — CID 69329821

IUPAC7-[7-(5-carbamoyl-2-oxo-1,3-oxazolidin-3-yl)-1,3,4,5-tetrahydro-2-benzazepin-2-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid
SMILESCOc1c(N2CCCc3cc(N4CC(C(N)=O)OC4=O)ccc3C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12
InChIInChI=1S/C28H27FN4O7/c1-39-25-22-18(24(34)19(27(36)37)12-32(22)16-6-7-16)10-20(29)23(25)31-8-2-3-14-9-17(5-4-15(14)11-31)33-13-21(26(30)35)40-28(33)38/h4-5,9-10,12,16,21H,2-3,6-8,11,13H2,1H3,(H2,30,35)(H,36,37)
InChIKeyCRFXUUCTQBRUIK-UHFFFAOYSA-N
MW550.54 g/mol
LogP2.95
Rot. Bonds6

About 7-[7-(5-carbamoyl-2-oxo-1,3-oxazolidin-3-yl)-1,3,4,5-tetrahydro-2-benzazepin-2-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid

7-[7-(5-carbamoyl-2-oxo-1,3-oxazolidin-3-yl)-1,3,4,5-tetrahydro-2-benzazepin-2-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid (PubChem CID 69329821) has the molecular formula C28H27FN4O7 and a molecular weight of 550.54 g/mol. Its IUPAC name is 7-[7-(5-carbamoyl-2-oxo-1,3-oxazolidin-3-yl)-1,3,4,5-tetrahydro-2-benzazepin-2-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name7-[7-(5-carbamoyl-2-oxo-1,3-oxazolidin-3-yl)-1,3,4,5-tetrahydro-2-benzazepin-2-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid
PubChem CID69329821
Molecular FormulaC28H27FN4O7
Molecular Weight550.54 g/mol
Exact Mass550.19
IUPAC Name7-[7-(5-carbamoyl-2-oxo-1,3-oxazolidin-3-yl)-1,3,4,5-tetrahydro-2-benzazepin-2-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid
SMILESCOc1c(N2CCCc3cc(N4CC(C(N)=O)OC4=O)ccc3C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12
InChIInChI=1S/C28H27FN4O7/c1-39-25-22-18(24(34)19(27(36)37)12-32(22)16-6-7-16)10-20(29)23(25)31-8-2-3-14-9-17(5-4-15(14)11-31)33-13-21(26(30)35)40-28(33)38/h4-5,9-10,12,16,21H,2-3,6-8,11,13H2,1H3,(H2,30,35)(H,36,37)
InChIKeyCRFXUUCTQBRUIK-UHFFFAOYSA-N
XLogP2.95
TPSA144.40 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500550.54
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 7-[7-(5-carbamoyl-2-oxo-1,3-oxazolidin-3-yl)-1,3,4,5-tetrahydro-2-benzazepin-2-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

7-[3-(2-amino-1-fluoroethylidene)piperidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid
CID 67311435
6-[7-[(5R)-5-carbamoyl-2-oxo-1,3-oxazolidin-3-yl]-1,3,4,5-tetrahydro-2-benzazepin-2-yl]-2-methyl-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraene-11-carboxylic acid
CID 59995558
7-[(3S)-3-aminopiperidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid
CID 11047030
1-cyclopropyl-6-fluoro-7-(4-hydroxypiperidin-1-yl)-8-methoxy-4-oxoquinoline-3-carboxylic acid
CID 10126388
1-cyclopropyl-6-fluoro-7-[3-[[2-fluoro-4-[(5S)-2-oxo-5-(3-oxobutyl)-1,3-oxazolidin-3-yl]phenoxy]methyl]pyrrolidin-1-yl]-8-methoxy-4-oxoquinoline-3-carboxylic acid
CID 158677069
1-cyclopropyl-6-fluoro-8-methoxy-7-[3-(methylamino)piperidin-1-yl]-4-oxoquinoline-3-carboxylic acid;dihydrate
CID 6918202
7-(4-carboxy-3,5-dimethylpiperidin-1-yl)-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid
CID 151154897
7-[(3S,4S)-4-amino-3-methylpiperidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid
CID 69019025
7-[5-(aminomethyl)-1,3-dihydroisoindol-2-yl]-1-cyclopropyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
CID 14795802
1-cyclopropyl-7-[(3E)-3-[(5S)-5,9-diamino-1-fluoro-4-oxononylidene]piperidin-1-yl]-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid;dihydrochloride
CID 160803142
7-[1-amino-5-(fluoromethyl)-3-azabicyclo[3.1.1]heptan-3-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid
CID 139713315
1-cyclopropyl-6-fluoro-8-methoxy-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid;hydrobromide
CID 140541872

Frequently Asked Questions

What is the IUPAC name of 7-[7-(5-carbamoyl-2-oxo-1,3-oxazolidin-3-yl)-1,3,4,5-tetrahydro-2-benzazepin-2-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid?
The IUPAC name of 7-[7-(5-carbamoyl-2-oxo-1,3-oxazolidin-3-yl)-1,3,4,5-tetrahydro-2-benzazepin-2-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid (CID 69329821) is 7-[7-(5-carbamoyl-2-oxo-1,3-oxazolidin-3-yl)-1,3,4,5-tetrahydro-2-benzazepin-2-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid.
What is the SMILES notation for 7-[7-(5-carbamoyl-2-oxo-1,3-oxazolidin-3-yl)-1,3,4,5-tetrahydro-2-benzazepin-2-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid?
The canonical SMILES for 7-[7-(5-carbamoyl-2-oxo-1,3-oxazolidin-3-yl)-1,3,4,5-tetrahydro-2-benzazepin-2-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid is COc1c(N2CCCc3cc(N4CC(C(N)=O)OC4=O)ccc3C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12.
What is the InChIKey of 7-[7-(5-carbamoyl-2-oxo-1,3-oxazolidin-3-yl)-1,3,4,5-tetrahydro-2-benzazepin-2-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid?
The InChIKey is CRFXUUCTQBRUIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27FN4O7/c1-39-25-22-18(24(34)19(27(36)37)12-32(22)16-6-7-16)10-20(29)23(25)31-8-2-3-14-9-17(5-4-15(14)11-31)33-13-21(26(30)35)40-28(33)38/h4-5,9-10,12,16,21H,2-3,6-8,11,13H2,1H3,(H2,30,35)(H,36,37).
What are the key properties of 7-[7-(5-carbamoyl-2-oxo-1,3-oxazolidin-3-yl)-1,3,4,5-tetrahydro-2-benzazepin-2-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid?
7-[7-(5-carbamoyl-2-oxo-1,3-oxazolidin-3-yl)-1,3,4,5-tetrahydro-2-benzazepin-2-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid has a molecular weight of 550.54 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[7-(5-carbamoyl-2-oxo-1,3-oxazolidin-3-yl)-1,3,4,5-tetrahydro-2-benzazepin-2-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 69329821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).