2-amino-6,8-difluoro-1-methyl-4-oxo-7-pyrrolidin-1-ylquinoline-3-carboxylic acid

C15H15F2N3O3 — CID 139626025

IUPAC2-amino-6,8-difluoro-1-methyl-4-oxo-7-pyrrolidin-1-ylquinoline-3-carboxylic acid
SMILESCn1c(N)c(C(=O)O)c(=O)c2cc(F)c(N3CCCC3)c(F)c21
InChIInChI=1S/C15H15F2N3O3/c1-19-11-7(13(21)9(14(19)18)15(22)23)6-8(16)12(10(11)17)20-4-2-3-5-20/h6H,2-5,18H2,1H3,(H,22,23)
InChIKeyXUFSYRYIOOAIGE-UHFFFAOYSA-N
MW323.30 g/mol
LogP1.70
Rot. Bonds2

About 2-amino-6,8-difluoro-1-methyl-4-oxo-7-pyrrolidin-1-ylquinoline-3-carboxylic acid

2-amino-6,8-difluoro-1-methyl-4-oxo-7-pyrrolidin-1-ylquinoline-3-carboxylic acid (PubChem CID 139626025) has the molecular formula C15H15F2N3O3 and a molecular weight of 323.30 g/mol. Its IUPAC name is 2-amino-6,8-difluoro-1-methyl-4-oxo-7-pyrrolidin-1-ylquinoline-3-carboxylic acid.

Molecular Properties

Compound Name2-amino-6,8-difluoro-1-methyl-4-oxo-7-pyrrolidin-1-ylquinoline-3-carboxylic acid
PubChem CID139626025
Molecular FormulaC15H15F2N3O3
Molecular Weight323.30 g/mol
Exact Mass323.11
IUPAC Name2-amino-6,8-difluoro-1-methyl-4-oxo-7-pyrrolidin-1-ylquinoline-3-carboxylic acid
SMILESCn1c(N)c(C(=O)O)c(=O)c2cc(F)c(N3CCCC3)c(F)c21
InChIInChI=1S/C15H15F2N3O3/c1-19-11-7(13(21)9(14(19)18)15(22)23)6-8(16)12(10(11)17)20-4-2-3-5-20/h6H,2-5,18H2,1H3,(H,22,23)
InChIKeyXUFSYRYIOOAIGE-UHFFFAOYSA-N
XLogP1.70
TPSA88.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.30
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6,8-difluoro-4-oxo-1-phenyl-7-piperidin-1-ylquinoline-3-carboxylic acid
CID 21290567
6,8-difluoro-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)-4-oxo-7-pyrrolidin-1-ylquinoline-3-carboxylic acid
CID 1208020
7-(azepan-1-yl)-8-chloro-6-fluoro-1-methyl-4-oxoquinoline-3-carboxylic acid
CID 25124186
6,8-difluoro-1-(fluoromethyl)-7-(4-methylpiperazin-1-yl)-4-oxo-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylic acid
CID 10668606
[1-(4-aminophenyl)-6,8-difluoro-7-morpholin-4-yl-4-oxoquinolin-3-yl] hydrogen carbonate
CID 67757356
6,8-difluoro-1-(2-fluoroethyl)-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid
CID 3357
6-fluoro-1-methyl-7-(4-methyl-1,4-diazepan-1-yl)-4-oxo-8-(trifluoromethyl)quinoline-3-carboxylic acid
CID 54410705
7-[(3S)-3-aminopyrrolidin-1-yl]-6,8-difluoro-1-methylidene-4-oxo-[1,3]thiazeto[3,2-a]quinoline-3-carboxylic acid
CID 67800020
7-(1,4-diazepan-1-yl)-1-ethyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
CID 13422055
sodium 6,8-difluoro-1-(methylamino)-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylate
CID 54578500
1-(5-amino-2,4-difluorophenyl)-7-(3-aminopyrrolidin-1-yl)-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
CID 10320807
7-fluoro-2-methyl-10-oxo-6-pyrrolidin-1-yl-4-oxa-1,2-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid;3-methyl-1,2-oxazol-5-amine
CID 143855101

Frequently Asked Questions

What is the IUPAC name of 2-amino-6,8-difluoro-1-methyl-4-oxo-7-pyrrolidin-1-ylquinoline-3-carboxylic acid?
The IUPAC name of 2-amino-6,8-difluoro-1-methyl-4-oxo-7-pyrrolidin-1-ylquinoline-3-carboxylic acid (CID 139626025) is 2-amino-6,8-difluoro-1-methyl-4-oxo-7-pyrrolidin-1-ylquinoline-3-carboxylic acid.
What is the SMILES notation for 2-amino-6,8-difluoro-1-methyl-4-oxo-7-pyrrolidin-1-ylquinoline-3-carboxylic acid?
The canonical SMILES for 2-amino-6,8-difluoro-1-methyl-4-oxo-7-pyrrolidin-1-ylquinoline-3-carboxylic acid is Cn1c(N)c(C(=O)O)c(=O)c2cc(F)c(N3CCCC3)c(F)c21.
What is the InChIKey of 2-amino-6,8-difluoro-1-methyl-4-oxo-7-pyrrolidin-1-ylquinoline-3-carboxylic acid?
The InChIKey is XUFSYRYIOOAIGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N3O3/c1-19-11-7(13(21)9(14(19)18)15(22)23)6-8(16)12(10(11)17)20-4-2-3-5-20/h6H,2-5,18H2,1H3,(H,22,23).
What are the key properties of 2-amino-6,8-difluoro-1-methyl-4-oxo-7-pyrrolidin-1-ylquinoline-3-carboxylic acid?
2-amino-6,8-difluoro-1-methyl-4-oxo-7-pyrrolidin-1-ylquinoline-3-carboxylic acid has a molecular weight of 323.30 g/mol, XLogP of 1.70, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6,8-difluoro-1-methyl-4-oxo-7-pyrrolidin-1-ylquinoline-3-carboxylic acid is sourced from PubChem (CID 139626025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).