7-(3-aminopyrrolidin-1-yl)-1-ethyl-6-fluoro-5-methyl-4-oxoquinoline-3-carboxylic acid;hydrochloride

C17H21ClFN3O3 — CID 70277764

IUPAC7-(3-aminopyrrolidin-1-yl)-1-ethyl-6-fluoro-5-methyl-4-oxoquinoline-3-carboxylic acid;hydrochloride
SMILESCCn1cc(C(=O)O)c(=O)c2c(C)c(F)c(N3CCC(N)C3)cc21.Cl
InChIInChI=1S/C17H20FN3O3.ClH/c1-3-20-8-11(17(23)24)16(22)14-9(2)15(18)13(6-12(14)20)21-5-4-10(19)7-21;/h6,8,10H,3-5,7,19H2,1-2H3,(H,23,24);1H
InChIKeyOQBXMTMCCWCWMH-UHFFFAOYSA-N
MW369.82 g/mol
LogP2.13
Rot. Bonds3

About 7-(3-aminopyrrolidin-1-yl)-1-ethyl-6-fluoro-5-methyl-4-oxoquinoline-3-carboxylic acid;hydrochloride

7-(3-aminopyrrolidin-1-yl)-1-ethyl-6-fluoro-5-methyl-4-oxoquinoline-3-carboxylic acid;hydrochloride (PubChem CID 70277764) has the molecular formula C17H21ClFN3O3 and a molecular weight of 369.82 g/mol. Its IUPAC name is 7-(3-aminopyrrolidin-1-yl)-1-ethyl-6-fluoro-5-methyl-4-oxoquinoline-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name7-(3-aminopyrrolidin-1-yl)-1-ethyl-6-fluoro-5-methyl-4-oxoquinoline-3-carboxylic acid;hydrochloride
PubChem CID70277764
Molecular FormulaC17H21ClFN3O3
Molecular Weight369.82 g/mol
Exact Mass369.13
IUPAC Name7-(3-aminopyrrolidin-1-yl)-1-ethyl-6-fluoro-5-methyl-4-oxoquinoline-3-carboxylic acid;hydrochloride
SMILESCCn1cc(C(=O)O)c(=O)c2c(C)c(F)c(N3CCC(N)C3)cc21.Cl
InChIInChI=1S/C17H20FN3O3.ClH/c1-3-20-8-11(17(23)24)16(22)14-9(2)15(18)13(6-12(14)20)21-5-4-10(19)7-21;/h6,8,10H,3-5,7,19H2,1-2H3,(H,23,24);1H
InChIKeyOQBXMTMCCWCWMH-UHFFFAOYSA-N
XLogP2.13
TPSA88.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.82
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 7-(3-aminopyrrolidin-1-yl)-1-ethyl-6-fluoro-5-methyl-4-oxoquinoline-3-carboxylic acid;hydrochloride with MolForge

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Related Compounds

7-[(3S)-3-aminopyrrolidin-1-yl]-1-ethyl-6-fluoro-5-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid;hydrate;hydrochloride
CID 70367935
7-(3-aminopyrrolidin-1-yl)-1-cyclopropyl-6-fluoro-5-hydroxy-4-oxoquinoline-3-carboxylic acid
CID 14896587
1-cyclopropyl-6-fluoro-5-methyl-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid;hydrate;hydrochloride
CID 139032857
7-[(3S)-3-aminopyrrolidin-1-yl]-1-cyclopropyl-6,8-difluoro-5-methyl-4-oxoquinoline-3-carboxylic acid
CID 14651174
7-(3-aminopyrrolidin-1-yl)-1-tert-butyl-6-fluoro-5-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 23276747
5-amino-7-(3-aminoazetidin-1-yl)-1-ethyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
CID 10337186
7-[(7S)-7-amino-5-azaspiro[2.4]heptan-5-yl]-1-cyclopropyl-6-fluoro-5-methyl-4-oxoquinoline-3-carboxylic acid
CID 139636874
7-(3-aminopyrrolidin-1-yl)-6-fluoro-5-methoxy-4-oxo-1H-quinoline-3-carboxylic acid
CID 11186310
1-(2,4-difluorophenyl)-7-[3-[1-(ethylamino)ethyl]pyrrolidin-1-yl]-6-fluoro-5-methyl-4-oxoquinoline-3-carboxylic acid
CID 19046050
1-cyclopropyl-7-(3-ethenylpiperazin-1-yl)-6-fluoro-5-methyl-4-oxoquinoline-3-carboxylic acid
CID 15382909
7-(3-aminopyrrolidin-1-yl)-6,8-difluoro-1-(2-fluoroethyl)-4-oxoquinoline-3-carboxylic acid
CID 19992246
6-fluoro-5-methyl-7-(3-methylpiperazin-1-yl)-4-oxo-1-(2,2,3,3-tetradeuteriocyclopropyl)quinoline-3-carboxylic acid
CID 169441061

Frequently Asked Questions

What is the IUPAC name of 7-(3-aminopyrrolidin-1-yl)-1-ethyl-6-fluoro-5-methyl-4-oxoquinoline-3-carboxylic acid;hydrochloride?
The IUPAC name of 7-(3-aminopyrrolidin-1-yl)-1-ethyl-6-fluoro-5-methyl-4-oxoquinoline-3-carboxylic acid;hydrochloride (CID 70277764) is 7-(3-aminopyrrolidin-1-yl)-1-ethyl-6-fluoro-5-methyl-4-oxoquinoline-3-carboxylic acid;hydrochloride.
What is the SMILES notation for 7-(3-aminopyrrolidin-1-yl)-1-ethyl-6-fluoro-5-methyl-4-oxoquinoline-3-carboxylic acid;hydrochloride?
The canonical SMILES for 7-(3-aminopyrrolidin-1-yl)-1-ethyl-6-fluoro-5-methyl-4-oxoquinoline-3-carboxylic acid;hydrochloride is CCn1cc(C(=O)O)c(=O)c2c(C)c(F)c(N3CCC(N)C3)cc21.Cl.
What is the InChIKey of 7-(3-aminopyrrolidin-1-yl)-1-ethyl-6-fluoro-5-methyl-4-oxoquinoline-3-carboxylic acid;hydrochloride?
The InChIKey is OQBXMTMCCWCWMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O3.ClH/c1-3-20-8-11(17(23)24)16(22)14-9(2)15(18)13(6-12(14)20)21-5-4-10(19)7-21;/h6,8,10H,3-5,7,19H2,1-2H3,(H,23,24);1H.
What are the key properties of 7-(3-aminopyrrolidin-1-yl)-1-ethyl-6-fluoro-5-methyl-4-oxoquinoline-3-carboxylic acid;hydrochloride?
7-(3-aminopyrrolidin-1-yl)-1-ethyl-6-fluoro-5-methyl-4-oxoquinoline-3-carboxylic acid;hydrochloride has a molecular weight of 369.82 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-aminopyrrolidin-1-yl)-1-ethyl-6-fluoro-5-methyl-4-oxoquinoline-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 70277764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).