7-(3-aminopyrrolidin-1-yl)-6-fluoro-1-(oxetan-3-yl)-4-oxoquinoline-3-carboxylic acid

C17H18FN3O4 — CID 24848851

IUPAC7-(3-aminopyrrolidin-1-yl)-6-fluoro-1-(oxetan-3-yl)-4-oxoquinoline-3-carboxylic acid
SMILESNC1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2COC2)C1
InChIInChI=1S/C17H18FN3O4/c18-13-3-11-14(4-15(13)20-2-1-9(19)5-20)21(10-7-25-8-10)6-12(16(11)22)17(23)24/h3-4,6,9-10H,1-2,5,7-8,19H2,(H,23,24)
InChIKeySRLGACOUAXBWJR-UHFFFAOYSA-N
MW347.35 g/mol
LogP0.95
Rot. Bonds3

About 7-(3-aminopyrrolidin-1-yl)-6-fluoro-1-(oxetan-3-yl)-4-oxoquinoline-3-carboxylic acid

7-(3-aminopyrrolidin-1-yl)-6-fluoro-1-(oxetan-3-yl)-4-oxoquinoline-3-carboxylic acid (PubChem CID 24848851) has the molecular formula C17H18FN3O4 and a molecular weight of 347.35 g/mol. Its IUPAC name is 7-(3-aminopyrrolidin-1-yl)-6-fluoro-1-(oxetan-3-yl)-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name7-(3-aminopyrrolidin-1-yl)-6-fluoro-1-(oxetan-3-yl)-4-oxoquinoline-3-carboxylic acid
PubChem CID24848851
Molecular FormulaC17H18FN3O4
Molecular Weight347.35 g/mol
Exact Mass347.13
IUPAC Name7-(3-aminopyrrolidin-1-yl)-6-fluoro-1-(oxetan-3-yl)-4-oxoquinoline-3-carboxylic acid
SMILESNC1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2COC2)C1
InChIInChI=1S/C17H18FN3O4/c18-13-3-11-14(4-15(13)20-2-1-9(19)5-20)21(10-7-25-8-10)6-12(16(11)22)17(23)24/h3-4,6,9-10H,1-2,5,7-8,19H2,(H,23,24)
InChIKeySRLGACOUAXBWJR-UHFFFAOYSA-N
XLogP0.95
TPSA97.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.35
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 7-(3-aminopyrrolidin-1-yl)-6-fluoro-1-(oxetan-3-yl)-4-oxoquinoline-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-[(3S)-3-aminoazepan-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 86334665
1-cyclopropyl-6-fluoro-7-(3-oxa-7,9-diazabicyclo[3.3.1]nonan-7-yl)-4-oxoquinoline-3-carboxylic acid
CID 67903157
1-cyclopropyl-6-fluoro-7-[3-(hydroxymethyl)pyrrolidin-1-yl]-4-oxoquinoline-3-carboxylic acid
CID 14072056
1-cyclopropyl-6-fluoro-4-oxo-7-[(3R)-3-sulfanylpyrrolidin-1-yl]quinoline-3-carboxylic acid
CID 18631753
1-cyclopropyl-6-fluoro-7-[(3R)-3-(methylamino)pyrrolidin-1-yl]-4-oxoquinoline-3-carboxylic acid
CID 91008490
7-[(3S)-3-(1-aminoethyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 67727084
7-[(3R)-3-[(1S)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 10021363
1-cyclopropyl-6-fluoro-7-[3-(hydroxymethyl)azetidin-1-yl]-4-oxoquinoline-3-carboxylic acid
CID 15670687
7-(3-aminopyrrolidin-1-yl)-6-fluoro-1-(3-fluoro-4-pyridinyl)-4-oxoquinoline-3-carboxylic acid
CID 18985302
1-cyclopropyl-7-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 15724453
7-[3-[(2-aminoacetyl)amino]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 14555553
1-cyclopropyl-6-fluoro-7-(4-iodopiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid
CID 129154415

Frequently Asked Questions

What is the IUPAC name of 7-(3-aminopyrrolidin-1-yl)-6-fluoro-1-(oxetan-3-yl)-4-oxoquinoline-3-carboxylic acid?
The IUPAC name of 7-(3-aminopyrrolidin-1-yl)-6-fluoro-1-(oxetan-3-yl)-4-oxoquinoline-3-carboxylic acid (CID 24848851) is 7-(3-aminopyrrolidin-1-yl)-6-fluoro-1-(oxetan-3-yl)-4-oxoquinoline-3-carboxylic acid.
What is the SMILES notation for 7-(3-aminopyrrolidin-1-yl)-6-fluoro-1-(oxetan-3-yl)-4-oxoquinoline-3-carboxylic acid?
The canonical SMILES for 7-(3-aminopyrrolidin-1-yl)-6-fluoro-1-(oxetan-3-yl)-4-oxoquinoline-3-carboxylic acid is NC1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2COC2)C1.
What is the InChIKey of 7-(3-aminopyrrolidin-1-yl)-6-fluoro-1-(oxetan-3-yl)-4-oxoquinoline-3-carboxylic acid?
The InChIKey is SRLGACOUAXBWJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O4/c18-13-3-11-14(4-15(13)20-2-1-9(19)5-20)21(10-7-25-8-10)6-12(16(11)22)17(23)24/h3-4,6,9-10H,1-2,5,7-8,19H2,(H,23,24).
What are the key properties of 7-(3-aminopyrrolidin-1-yl)-6-fluoro-1-(oxetan-3-yl)-4-oxoquinoline-3-carboxylic acid?
7-(3-aminopyrrolidin-1-yl)-6-fluoro-1-(oxetan-3-yl)-4-oxoquinoline-3-carboxylic acid has a molecular weight of 347.35 g/mol, XLogP of 0.95, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-aminopyrrolidin-1-yl)-6-fluoro-1-(oxetan-3-yl)-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 24848851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).