7-[[(1R,2S)-2-aminocyclopentyl]amino]-6-fluoro-1-(4-fluorophenyl)-4-oxoquinoline-3-carboxylic acid

C21H19F2N3O3 — CID 18643683

IUPAC7-[[(1R,2S)-2-aminocyclopentyl]amino]-6-fluoro-1-(4-fluorophenyl)-4-oxoquinoline-3-carboxylic acid
SMILESN[C@H]1CCC[C@H]1Nc1cc2c(cc1F)c(=O)c(C(=O)O)cn2-c1ccc(F)cc1
InChIInChI=1S/C21H19F2N3O3/c22-11-4-6-12(7-5-11)26-10-14(21(28)29)20(27)13-8-15(23)18(9-19(13)26)25-17-3-1-2-16(17)24/h4-10,16-17,25H,1-3,24H2,(H,28,29)/t16-,17+/m0/s1
InChIKeyDOVMJOUWTKUZKV-DLBZAZTESA-N
MW399.40 g/mol
LogP3.26
Rot. Bonds4

About 7-[[(1R,2S)-2-aminocyclopentyl]amino]-6-fluoro-1-(4-fluorophenyl)-4-oxoquinoline-3-carboxylic acid

7-[[(1R,2S)-2-aminocyclopentyl]amino]-6-fluoro-1-(4-fluorophenyl)-4-oxoquinoline-3-carboxylic acid (PubChem CID 18643683) has the molecular formula C21H19F2N3O3 and a molecular weight of 399.40 g/mol. Its IUPAC name is 7-[[(1R,2S)-2-aminocyclopentyl]amino]-6-fluoro-1-(4-fluorophenyl)-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name7-[[(1R,2S)-2-aminocyclopentyl]amino]-6-fluoro-1-(4-fluorophenyl)-4-oxoquinoline-3-carboxylic acid
PubChem CID18643683
Molecular FormulaC21H19F2N3O3
Molecular Weight399.40 g/mol
Exact Mass399.14
IUPAC Name7-[[(1R,2S)-2-aminocyclopentyl]amino]-6-fluoro-1-(4-fluorophenyl)-4-oxoquinoline-3-carboxylic acid
SMILESN[C@H]1CCC[C@H]1Nc1cc2c(cc1F)c(=O)c(C(=O)O)cn2-c1ccc(F)cc1
InChIInChI=1S/C21H19F2N3O3/c22-11-4-6-12(7-5-11)26-10-14(21(28)29)20(27)13-8-15(23)18(9-19(13)26)25-17-3-1-2-16(17)24/h4-10,16-17,25H,1-3,24H2,(H,28,29)/t16-,17+/m0/s1
InChIKeyDOVMJOUWTKUZKV-DLBZAZTESA-N
XLogP3.26
TPSA97.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.40
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 7-[[(1R,2S)-2-aminocyclopentyl]amino]-6-fluoro-1-(4-fluorophenyl)-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-[[(1R,2S)-2-aminocyclohexyl]amino]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 54131792
7-(3-amino-3-methylazetidin-1-yl)-6-fluoro-1-(4-fluorophenyl)-4-oxoquinoline-3-carboxylic acid
CID 10430164
7-(1,4-diazabicyclo[3.3.1]nonan-4-yl)-6-fluoro-1-(4-fluorophenyl)-4-oxoquinoline-3-carboxylic acid
CID 15140279
1-cyclobutyl-7-(cyclobutylamino)-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 3009588
6-fluoro-1-(4-fluorophenyl)-7-(2,2,3,3,5,5,6,6-octadeuteriopiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid;hydrochloride
CID 131699068
7-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-6-fluoro-1-(4-fluorophenyl)-4-oxoquinoline-3-carboxylic acid
CID 14014825
7-(2,3-dihydro-1H-isoindol-5-yl)-6-fluoro-1-(4-fluorophenyl)-4-oxoquinoline-3-carboxylic acid
CID 21220312
1-(2,4-difluorophenyl)-6-fluoro-7-methyl-4-oxoquinoline-3-carboxylic acid
CID 5061933
7-[3-(benzylideneamino)pyrrolidin-1-yl]-6-fluoro-1-(4-fluorophenyl)-4-oxoquinoline-3-carboxylic acid
CID 14230010
1-(4-carboxyphenyl)-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid
CID 23878924
7-[(3aR,4R,7aS)-4-amino-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-6-fluoro-1-(4-methoxyphenyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 11155197
7-(3-aminoprop-1-en-2-yl)-6-fluoro-1-(4-hydroxyphenyl)-4-oxoquinoline-3-carboxylic acid
CID 14883375

Frequently Asked Questions

What is the IUPAC name of 7-[[(1R,2S)-2-aminocyclopentyl]amino]-6-fluoro-1-(4-fluorophenyl)-4-oxoquinoline-3-carboxylic acid?
The IUPAC name of 7-[[(1R,2S)-2-aminocyclopentyl]amino]-6-fluoro-1-(4-fluorophenyl)-4-oxoquinoline-3-carboxylic acid (CID 18643683) is 7-[[(1R,2S)-2-aminocyclopentyl]amino]-6-fluoro-1-(4-fluorophenyl)-4-oxoquinoline-3-carboxylic acid.
What is the SMILES notation for 7-[[(1R,2S)-2-aminocyclopentyl]amino]-6-fluoro-1-(4-fluorophenyl)-4-oxoquinoline-3-carboxylic acid?
The canonical SMILES for 7-[[(1R,2S)-2-aminocyclopentyl]amino]-6-fluoro-1-(4-fluorophenyl)-4-oxoquinoline-3-carboxylic acid is N[C@H]1CCC[C@H]1Nc1cc2c(cc1F)c(=O)c(C(=O)O)cn2-c1ccc(F)cc1.
What is the InChIKey of 7-[[(1R,2S)-2-aminocyclopentyl]amino]-6-fluoro-1-(4-fluorophenyl)-4-oxoquinoline-3-carboxylic acid?
The InChIKey is DOVMJOUWTKUZKV-DLBZAZTESA-N. The full InChI is InChI=1S/C21H19F2N3O3/c22-11-4-6-12(7-5-11)26-10-14(21(28)29)20(27)13-8-15(23)18(9-19(13)26)25-17-3-1-2-16(17)24/h4-10,16-17,25H,1-3,24H2,(H,28,29)/t16-,17+/m0/s1.
What are the key properties of 7-[[(1R,2S)-2-aminocyclopentyl]amino]-6-fluoro-1-(4-fluorophenyl)-4-oxoquinoline-3-carboxylic acid?
7-[[(1R,2S)-2-aminocyclopentyl]amino]-6-fluoro-1-(4-fluorophenyl)-4-oxoquinoline-3-carboxylic acid has a molecular weight of 399.40 g/mol, XLogP of 3.26, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[(1R,2S)-2-aminocyclopentyl]amino]-6-fluoro-1-(4-fluorophenyl)-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 18643683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).