7-(2-carboxy-4-hydroxypyrrolidin-1-yl)-1-cyclopropyl-6-fluoro-8-nitro-4-oxoquinoline-3-carboxylic acid

C18H16FN3O8 — CID 23652617

IUPAC7-(2-carboxy-4-hydroxypyrrolidin-1-yl)-1-cyclopropyl-6-fluoro-8-nitro-4-oxoquinoline-3-carboxylic acid
SMILESO=C(O)c1cn(C2CC2)c2c([N+](=O)[O-])c(N3CC(O)CC3C(=O)O)c(F)cc2c1=O
InChIInChI=1S/C18H16FN3O8/c19-11-4-9-13(20(7-1-2-7)6-10(16(9)24)17(25)26)15(22(29)30)14(11)21-5-8(23)3-12(21)18(27)28/h4,6-8,12,23H,1-3,5H2,(H,25,26)(H,27,28)
InChIKeyZZMSLVCZMDOQFO-UHFFFAOYSA-N
MW421.34 g/mol
LogP1.11
Rot. Bonds5

About 7-(2-carboxy-4-hydroxypyrrolidin-1-yl)-1-cyclopropyl-6-fluoro-8-nitro-4-oxoquinoline-3-carboxylic acid

7-(2-carboxy-4-hydroxypyrrolidin-1-yl)-1-cyclopropyl-6-fluoro-8-nitro-4-oxoquinoline-3-carboxylic acid (PubChem CID 23652617) has the molecular formula C18H16FN3O8 and a molecular weight of 421.34 g/mol. Its IUPAC name is 7-(2-carboxy-4-hydroxypyrrolidin-1-yl)-1-cyclopropyl-6-fluoro-8-nitro-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name7-(2-carboxy-4-hydroxypyrrolidin-1-yl)-1-cyclopropyl-6-fluoro-8-nitro-4-oxoquinoline-3-carboxylic acid
PubChem CID23652617
Molecular FormulaC18H16FN3O8
Molecular Weight421.34 g/mol
Exact Mass421.09
IUPAC Name7-(2-carboxy-4-hydroxypyrrolidin-1-yl)-1-cyclopropyl-6-fluoro-8-nitro-4-oxoquinoline-3-carboxylic acid
SMILESO=C(O)c1cn(C2CC2)c2c([N+](=O)[O-])c(N3CC(O)CC3C(=O)O)c(F)cc2c1=O
InChIInChI=1S/C18H16FN3O8/c19-11-4-9-13(20(7-1-2-7)6-10(16(9)24)17(25)26)15(22(29)30)14(11)21-5-8(23)3-12(21)18(27)28/h4,6-8,12,23H,1-3,5H2,(H,25,26)(H,27,28)
InChIKeyZZMSLVCZMDOQFO-UHFFFAOYSA-N
XLogP1.11
TPSA163.21 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.34
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 7-(2-carboxy-4-hydroxypyrrolidin-1-yl)-1-cyclopropyl-6-fluoro-8-nitro-4-oxoquinoline-3-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

7-[[(1S)-1-carboxy-2-hydroxyethyl]amino]-1-cyclopropyl-6-fluoro-8-nitro-4-oxoquinoline-3-carboxylic acid
CID 67024116
1-cyclopropyl-6-fluoro-7-(4-hydroxypiperidin-1-yl)-8-methoxy-4-oxoquinoline-3-carboxylic acid
CID 10126388
1-cyclopropyl-6,8-difluoro-7-(6-hydroxy-3-azabicyclo[3.2.0]heptan-3-yl)-4-oxoquinoline-3-carboxylic acid
CID 21475413
1-cyclopropyl-6,8-difluoro-7-hydroxy-4-oxoquinoline-3-carboxylic acid
CID 15636877
7-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-cyclopropyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
CID 143715301
1-cyclopropyl-7-[(2S,3S)-2-ethyl-3-hydroxyazetidin-1-yl]-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
CID 10090157
7-[(1-carboxy-3-methylbutyl)amino]-1-cyclopropyl-6-fluoro-8-nitro-4-oxoquinoline-3-carboxylic acid
CID 67024103
7-[(3S)-3-aminopiperidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid
CID 11047030
1-cyclopropyl-6-fluoro-7-(3-hydroxypyrrolidin-1-yl)-4-oxo-8-propylquinoline-3-carboxylic acid
CID 143890855
1-cyclopropyl-6-fluoro-7-(4-hydroxy-3-methylpiperazin-1-yl)-8-methoxy-4-oxoquinoline-3-carboxylic acid
CID 54771817
7-[(3S)-3-aminopyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methylsulfanyl-4-oxoquinoline-3-carboxylic acid
CID 10690991
7-(4-carboxy-3,5-dimethylpiperidin-1-yl)-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid
CID 151154897

Frequently Asked Questions

What is the IUPAC name of 7-(2-carboxy-4-hydroxypyrrolidin-1-yl)-1-cyclopropyl-6-fluoro-8-nitro-4-oxoquinoline-3-carboxylic acid?
The IUPAC name of 7-(2-carboxy-4-hydroxypyrrolidin-1-yl)-1-cyclopropyl-6-fluoro-8-nitro-4-oxoquinoline-3-carboxylic acid (CID 23652617) is 7-(2-carboxy-4-hydroxypyrrolidin-1-yl)-1-cyclopropyl-6-fluoro-8-nitro-4-oxoquinoline-3-carboxylic acid.
What is the SMILES notation for 7-(2-carboxy-4-hydroxypyrrolidin-1-yl)-1-cyclopropyl-6-fluoro-8-nitro-4-oxoquinoline-3-carboxylic acid?
The canonical SMILES for 7-(2-carboxy-4-hydroxypyrrolidin-1-yl)-1-cyclopropyl-6-fluoro-8-nitro-4-oxoquinoline-3-carboxylic acid is O=C(O)c1cn(C2CC2)c2c([N+](=O)[O-])c(N3CC(O)CC3C(=O)O)c(F)cc2c1=O.
What is the InChIKey of 7-(2-carboxy-4-hydroxypyrrolidin-1-yl)-1-cyclopropyl-6-fluoro-8-nitro-4-oxoquinoline-3-carboxylic acid?
The InChIKey is ZZMSLVCZMDOQFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O8/c19-11-4-9-13(20(7-1-2-7)6-10(16(9)24)17(25)26)15(22(29)30)14(11)21-5-8(23)3-12(21)18(27)28/h4,6-8,12,23H,1-3,5H2,(H,25,26)(H,27,28).
What are the key properties of 7-(2-carboxy-4-hydroxypyrrolidin-1-yl)-1-cyclopropyl-6-fluoro-8-nitro-4-oxoquinoline-3-carboxylic acid?
7-(2-carboxy-4-hydroxypyrrolidin-1-yl)-1-cyclopropyl-6-fluoro-8-nitro-4-oxoquinoline-3-carboxylic acid has a molecular weight of 421.34 g/mol, XLogP of 1.11, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-carboxy-4-hydroxypyrrolidin-1-yl)-1-cyclopropyl-6-fluoro-8-nitro-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 23652617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).