7-(3-aminopyrrolidin-1-yl)-6-fluoro-4-oxo-1H-quinoline-3-carboxylic acid

C14H14FN3O3 — CID 19018952

IUPAC7-(3-aminopyrrolidin-1-yl)-6-fluoro-4-oxo-1H-quinoline-3-carboxylic acid
SMILESNC1CCN(c2cc3[nH]cc(C(=O)O)c(=O)c3cc2F)C1
InChIInChI=1S/C14H14FN3O3/c15-10-3-8-11(17-5-9(13(8)19)14(20)21)4-12(10)18-2-1-7(16)6-18/h3-5,7H,1-2,6,16H2,(H,17,19)(H,20,21)
InChIKeyNBFXHYCSZMFXKK-UHFFFAOYSA-N
MW291.28 g/mol
LogP0.90
Rot. Bonds2

About 7-(3-aminopyrrolidin-1-yl)-6-fluoro-4-oxo-1H-quinoline-3-carboxylic acid

7-(3-aminopyrrolidin-1-yl)-6-fluoro-4-oxo-1H-quinoline-3-carboxylic acid (PubChem CID 19018952) has the molecular formula C14H14FN3O3 and a molecular weight of 291.28 g/mol. Its IUPAC name is 7-(3-aminopyrrolidin-1-yl)-6-fluoro-4-oxo-1H-quinoline-3-carboxylic acid.

Molecular Properties

Compound Name7-(3-aminopyrrolidin-1-yl)-6-fluoro-4-oxo-1H-quinoline-3-carboxylic acid
PubChem CID19018952
Molecular FormulaC14H14FN3O3
Molecular Weight291.28 g/mol
Exact Mass291.10
IUPAC Name7-(3-aminopyrrolidin-1-yl)-6-fluoro-4-oxo-1H-quinoline-3-carboxylic acid
SMILESNC1CCN(c2cc3[nH]cc(C(=O)O)c(=O)c3cc2F)C1
InChIInChI=1S/C14H14FN3O3/c15-10-3-8-11(17-5-9(13(8)19)14(20)21)4-12(10)18-2-1-7(16)6-18/h3-5,7H,1-2,6,16H2,(H,17,19)(H,20,21)
InChIKeyNBFXHYCSZMFXKK-UHFFFAOYSA-N
XLogP0.90
TPSA99.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.28
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

7-(3-aminopyrrolidin-1-yl)-6-fluoro-5-methoxy-4-oxo-1H-quinoline-3-carboxylic acid
CID 11186310
7-[(3R)-3-aminopyrrolidin-1-yl]-6-fluoro-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid
CID 10017205
6-fluoro-7-[4-[(2E)-2-hydroxyiminoethyl]piperazin-1-yl]-4-oxo-1H-quinoline-3-carboxylic acid
CID 18382367
7-(3-aminopyrrolidin-1-yl)-6-fluoro-1-(oxetan-3-yl)-4-oxoquinoline-3-carboxylic acid
CID 24848851
7-[(3R)-3-aminoazepan-1-yl]-4-oxo-1H-quinoline-3-carboxylic acid
CID 46917304
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-1-(3-fluoro-4-pyridinyl)-4-oxoquinoline-3-carboxylic acid
CID 18985302
7-[(3S)-3-aminoazepan-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 86334665
7-(3-aminopyrrolidin-1-yl)-6-fluoro-1-methylidene-4-oxo-[1,3]thiazeto[3,2-a]quinoline-3-carboxylic acid
CID 67799847
6-acetyl-7-(3-aminopyrrolidin-1-yl)-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid
CID 67275600
7-[(3S)-3-aminopyrrolidin-1-yl]-6-fluoro-1-(fluoromethyl)-4-oxo-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylic acid
CID 67800898
6-fluoro-7-[4-[2-(5-methylsulfanylthiophen-2-yl)-2-oxoethyl]piperazin-1-yl]-4-oxo-1H-quinoline-3-carboxylic acid
CID 11964507

Frequently Asked Questions

What is the IUPAC name of 7-(3-aminopyrrolidin-1-yl)-6-fluoro-4-oxo-1H-quinoline-3-carboxylic acid?
The IUPAC name of 7-(3-aminopyrrolidin-1-yl)-6-fluoro-4-oxo-1H-quinoline-3-carboxylic acid (CID 19018952) is 7-(3-aminopyrrolidin-1-yl)-6-fluoro-4-oxo-1H-quinoline-3-carboxylic acid.
What is the SMILES notation for 7-(3-aminopyrrolidin-1-yl)-6-fluoro-4-oxo-1H-quinoline-3-carboxylic acid?
The canonical SMILES for 7-(3-aminopyrrolidin-1-yl)-6-fluoro-4-oxo-1H-quinoline-3-carboxylic acid is NC1CCN(c2cc3[nH]cc(C(=O)O)c(=O)c3cc2F)C1.
What is the InChIKey of 7-(3-aminopyrrolidin-1-yl)-6-fluoro-4-oxo-1H-quinoline-3-carboxylic acid?
The InChIKey is NBFXHYCSZMFXKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O3/c15-10-3-8-11(17-5-9(13(8)19)14(20)21)4-12(10)18-2-1-7(16)6-18/h3-5,7H,1-2,6,16H2,(H,17,19)(H,20,21).
What are the key properties of 7-(3-aminopyrrolidin-1-yl)-6-fluoro-4-oxo-1H-quinoline-3-carboxylic acid?
7-(3-aminopyrrolidin-1-yl)-6-fluoro-4-oxo-1H-quinoline-3-carboxylic acid has a molecular weight of 291.28 g/mol, XLogP of 0.90, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-aminopyrrolidin-1-yl)-6-fluoro-4-oxo-1H-quinoline-3-carboxylic acid is sourced from PubChem (CID 19018952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).