8-cyclopropyl-6-fluoro-7-[3-[(2-hydroxyethylamino)methyl]pyrrolidin-1-yl]-4-oxo-1H-quinoline-3-carboxylic acid

C20H24FN3O4 — CID 70438392

IUPAC8-cyclopropyl-6-fluoro-7-[3-[(2-hydroxyethylamino)methyl]pyrrolidin-1-yl]-4-oxo-1H-quinoline-3-carboxylic acid
SMILESO=C(O)c1c[nH]c2c(C3CC3)c(N3CCC(CNCCO)C3)c(F)cc2c1=O
InChIInChI=1S/C20H24FN3O4/c21-15-7-13-17(23-9-14(19(13)26)20(27)28)16(12-1-2-12)18(15)24-5-3-11(10-24)8-22-4-6-25/h7,9,11-12,22,25H,1-6,8,10H2,(H,23,26)(H,27,28)
InChIKeyUESJQAGEFRCXSA-UHFFFAOYSA-N
MW389.43 g/mol
LogP1.65
Rot. Bonds7

About 8-cyclopropyl-6-fluoro-7-[3-[(2-hydroxyethylamino)methyl]pyrrolidin-1-yl]-4-oxo-1H-quinoline-3-carboxylic acid

8-cyclopropyl-6-fluoro-7-[3-[(2-hydroxyethylamino)methyl]pyrrolidin-1-yl]-4-oxo-1H-quinoline-3-carboxylic acid (PubChem CID 70438392) has the molecular formula C20H24FN3O4 and a molecular weight of 389.43 g/mol. Its IUPAC name is 8-cyclopropyl-6-fluoro-7-[3-[(2-hydroxyethylamino)methyl]pyrrolidin-1-yl]-4-oxo-1H-quinoline-3-carboxylic acid.

Molecular Properties

Compound Name8-cyclopropyl-6-fluoro-7-[3-[(2-hydroxyethylamino)methyl]pyrrolidin-1-yl]-4-oxo-1H-quinoline-3-carboxylic acid
PubChem CID70438392
Molecular FormulaC20H24FN3O4
Molecular Weight389.43 g/mol
Exact Mass389.18
IUPAC Name8-cyclopropyl-6-fluoro-7-[3-[(2-hydroxyethylamino)methyl]pyrrolidin-1-yl]-4-oxo-1H-quinoline-3-carboxylic acid
SMILESO=C(O)c1c[nH]c2c(C3CC3)c(N3CCC(CNCCO)C3)c(F)cc2c1=O
InChIInChI=1S/C20H24FN3O4/c21-15-7-13-17(23-9-14(19(13)26)20(27)28)16(12-1-2-12)18(15)24-5-3-11(10-24)8-22-4-6-25/h7,9,11-12,22,25H,1-6,8,10H2,(H,23,26)(H,27,28)
InChIKeyUESJQAGEFRCXSA-UHFFFAOYSA-N
XLogP1.65
TPSA105.66 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 51.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 8-cyclopropyl-6-fluoro-7-[3-[(2-hydroxyethylamino)methyl]pyrrolidin-1-yl]-4-oxo-1H-quinoline-3-carboxylic acid with MolForge

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Related Compounds

7-(8-amino-6-azaspiro[2.5]octan-6-yl)-8-cyclopropyl-6-fluoro-4-oxo-1H-quinoline-3-carboxylic acid
CID 67795100
8-cyclopropyl-1-(2,4-difluorophenyl)-7-[3-(ethylaminomethyl)pyrrolidin-1-yl]-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 19896657
7-[3-(ethylaminomethyl)pyrrolidin-1-yl]-6,8-difluoro-2-(2-methylcyclopropyl)-4-oxo-1H-quinoline-3-carboxylic acid
CID 70494237
6-[fluoro(methyl)amino]-7-[3-(methylaminomethyl)pyrrolidin-1-yl]-4-oxo-1H-quinoline-3-carboxylic acid
CID 88690154
7-(3-aminopyrrolidin-1-yl)-6-fluoro-4-oxo-1H-quinoline-3-carboxylic acid
CID 19018952
6,7-difluoro-8-hydroxy-4-oxo-1H-quinoline-3-carboxylic acid
CID 14455621
6-[3-(ethylaminomethyl)pyrrolidin-1-yl]-7-fluoro-2-(fluoromethyl)-10-oxo-4-thia-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid
CID 19987768
7-[(3R)-3-aminopyrrolidin-1-yl]-6-fluoro-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid
CID 10017205
1-cyclopropyl-6-fluoro-7-[(3R)-3-[2-(methylamino)ethyl]pyrrolidin-1-yl]-4-oxo-8-(trifluoromethyl)quinoline-3-carboxylic acid
CID 67872440
6-[(3S)-3-[(cyclopropylamino)methyl]pyrrolidin-1-yl]-7-fluoro-2-methylidene-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid
CID 68980139
7-[3-[(3-amino-3-oxopropyl)amino]pyrrolidin-1-yl]-6-fluoro-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid
CID 67274806
(2R)-6-[3-[(cyclopropylamino)methyl]pyrrolidin-1-yl]-7-fluoro-2-(fluoromethyl)-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid
CID 68977652

Frequently Asked Questions

What is the IUPAC name of 8-cyclopropyl-6-fluoro-7-[3-[(2-hydroxyethylamino)methyl]pyrrolidin-1-yl]-4-oxo-1H-quinoline-3-carboxylic acid?
The IUPAC name of 8-cyclopropyl-6-fluoro-7-[3-[(2-hydroxyethylamino)methyl]pyrrolidin-1-yl]-4-oxo-1H-quinoline-3-carboxylic acid (CID 70438392) is 8-cyclopropyl-6-fluoro-7-[3-[(2-hydroxyethylamino)methyl]pyrrolidin-1-yl]-4-oxo-1H-quinoline-3-carboxylic acid.
What is the SMILES notation for 8-cyclopropyl-6-fluoro-7-[3-[(2-hydroxyethylamino)methyl]pyrrolidin-1-yl]-4-oxo-1H-quinoline-3-carboxylic acid?
The canonical SMILES for 8-cyclopropyl-6-fluoro-7-[3-[(2-hydroxyethylamino)methyl]pyrrolidin-1-yl]-4-oxo-1H-quinoline-3-carboxylic acid is O=C(O)c1c[nH]c2c(C3CC3)c(N3CCC(CNCCO)C3)c(F)cc2c1=O.
What is the InChIKey of 8-cyclopropyl-6-fluoro-7-[3-[(2-hydroxyethylamino)methyl]pyrrolidin-1-yl]-4-oxo-1H-quinoline-3-carboxylic acid?
The InChIKey is UESJQAGEFRCXSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O4/c21-15-7-13-17(23-9-14(19(13)26)20(27)28)16(12-1-2-12)18(15)24-5-3-11(10-24)8-22-4-6-25/h7,9,11-12,22,25H,1-6,8,10H2,(H,23,26)(H,27,28).
What are the key properties of 8-cyclopropyl-6-fluoro-7-[3-[(2-hydroxyethylamino)methyl]pyrrolidin-1-yl]-4-oxo-1H-quinoline-3-carboxylic acid?
8-cyclopropyl-6-fluoro-7-[3-[(2-hydroxyethylamino)methyl]pyrrolidin-1-yl]-4-oxo-1H-quinoline-3-carboxylic acid has a molecular weight of 389.43 g/mol, XLogP of 1.65, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopropyl-6-fluoro-7-[3-[(2-hydroxyethylamino)methyl]pyrrolidin-1-yl]-4-oxo-1H-quinoline-3-carboxylic acid is sourced from PubChem (CID 70438392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).