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

C29H22F3N5O6 — CID 69329800

IUPAC7-[7-(5-carbamoyl-2-oxo-1,3-oxazolidin-3-yl)-1,2,4,5-tetrahydro-3-benzazepin-3-yl]-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
SMILESNC(=O)C1CN(c2ccc3c(c2)CCN(c2nc4c(cc2F)c(=O)c(C(=O)O)cn4-c2ccc(F)cc2F)CC3)C(=O)O1
InChIInChI=1S/C29H22F3N5O6/c30-16-2-4-22(20(31)10-16)37-12-19(28(40)41)24(38)18-11-21(32)27(34-26(18)37)35-7-5-14-1-3-17(9-15(14)6-8-35)36-13-23(25(33)39)43-29(36)42/h1-4,9-12,23H,5-8,13H2,(H2,33,39)(H,40,41)
InChIKeyBABAKFHBEVRVPH-UHFFFAOYSA-N
MW593.52 g/mol
LogP2.92
Rot. Bonds5

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

7-[7-(5-carbamoyl-2-oxo-1,3-oxazolidin-3-yl)-1,2,4,5-tetrahydro-3-benzazepin-3-yl]-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid (PubChem CID 69329800) has the molecular formula C29H22F3N5O6 and a molecular weight of 593.52 g/mol. Its IUPAC name is 7-[7-(5-carbamoyl-2-oxo-1,3-oxazolidin-3-yl)-1,2,4,5-tetrahydro-3-benzazepin-3-yl]-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name7-[7-(5-carbamoyl-2-oxo-1,3-oxazolidin-3-yl)-1,2,4,5-tetrahydro-3-benzazepin-3-yl]-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
PubChem CID69329800
Molecular FormulaC29H22F3N5O6
Molecular Weight593.52 g/mol
Exact Mass593.15
IUPAC Name7-[7-(5-carbamoyl-2-oxo-1,3-oxazolidin-3-yl)-1,2,4,5-tetrahydro-3-benzazepin-3-yl]-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
SMILESNC(=O)C1CN(c2ccc3c(c2)CCN(c2nc4c(cc2F)c(=O)c(C(=O)O)cn4-c2ccc(F)cc2F)CC3)C(=O)O1
InChIInChI=1S/C29H22F3N5O6/c30-16-2-4-22(20(31)10-16)37-12-19(28(40)41)24(38)18-11-21(32)27(34-26(18)37)35-7-5-14-1-3-17(9-15(14)6-8-35)36-13-23(25(33)39)43-29(36)42/h1-4,9-12,23H,5-8,13H2,(H2,33,39)(H,40,41)
InChIKeyBABAKFHBEVRVPH-UHFFFAOYSA-N
XLogP2.92
TPSA148.06 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500593.52
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-[7-(5-cyano-2-oxo-1,3-oxazolidin-3-yl)-1,2,4,5-tetrahydro-3-benzazepin-3-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 11691866
7-[(1R,5R)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 98079436
7-[(1R,5R,6S)-5-amino-3-azabicyclo[4.1.0]heptan-3-yl]-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 67789146
7-(3-amino-4-methylpyrrolidin-1-yl)-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 57248114
1-(2,4-difluorophenyl)-6-fluoro-4-oxo-7-spiro[3-azabicyclo[3.1.0]hexane-6,1'-cyclopropane]-3-yl-1,8-naphthyridine-3-carboxylic acid
CID 163789812
7-(4-amino-3,3-dimethylpyrrolidin-1-yl)-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 139625044
7-[(3R)-3-(2-aminopropan-2-yl)pyrrolidin-1-yl]-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 10252980
bis(7-[(1S,5R)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid);methanesulfonic acid
CID 173332414
7-[(1S,5R)-6-[[(2S)-2-aminopropanoyl]amino]-3-azabicyclo[3.1.0]hexan-3-yl]-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 67916923
7-(3-amino-2,2,5,5-tetradeuteriopyrrolidin-1-yl)-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 169447240
7-[(1S,5R)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid;7-(3-aminopyrrolidin-1-yl)-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 87098565
7-(3-azidopyrrolidin-1-yl)-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid;methane
CID 167540695

Frequently Asked Questions

What is the IUPAC name of 7-[7-(5-carbamoyl-2-oxo-1,3-oxazolidin-3-yl)-1,2,4,5-tetrahydro-3-benzazepin-3-yl]-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid?
The IUPAC name of 7-[7-(5-carbamoyl-2-oxo-1,3-oxazolidin-3-yl)-1,2,4,5-tetrahydro-3-benzazepin-3-yl]-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid (CID 69329800) is 7-[7-(5-carbamoyl-2-oxo-1,3-oxazolidin-3-yl)-1,2,4,5-tetrahydro-3-benzazepin-3-yl]-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 7-[7-(5-carbamoyl-2-oxo-1,3-oxazolidin-3-yl)-1,2,4,5-tetrahydro-3-benzazepin-3-yl]-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid?
The canonical SMILES for 7-[7-(5-carbamoyl-2-oxo-1,3-oxazolidin-3-yl)-1,2,4,5-tetrahydro-3-benzazepin-3-yl]-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid is NC(=O)C1CN(c2ccc3c(c2)CCN(c2nc4c(cc2F)c(=O)c(C(=O)O)cn4-c2ccc(F)cc2F)CC3)C(=O)O1.
What is the InChIKey of 7-[7-(5-carbamoyl-2-oxo-1,3-oxazolidin-3-yl)-1,2,4,5-tetrahydro-3-benzazepin-3-yl]-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid?
The InChIKey is BABAKFHBEVRVPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22F3N5O6/c30-16-2-4-22(20(31)10-16)37-12-19(28(40)41)24(38)18-11-21(32)27(34-26(18)37)35-7-5-14-1-3-17(9-15(14)6-8-35)36-13-23(25(33)39)43-29(36)42/h1-4,9-12,23H,5-8,13H2,(H2,33,39)(H,40,41).
What are the key properties of 7-[7-(5-carbamoyl-2-oxo-1,3-oxazolidin-3-yl)-1,2,4,5-tetrahydro-3-benzazepin-3-yl]-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid?
7-[7-(5-carbamoyl-2-oxo-1,3-oxazolidin-3-yl)-1,2,4,5-tetrahydro-3-benzazepin-3-yl]-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 593.52 g/mol, XLogP of 2.92, 5 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)-1,2,4,5-tetrahydro-3-benzazepin-3-yl]-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 69329800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).