7-[(3R,4S)-3-amino-4-methylpyrrolidin-1-yl]-6-fluoro-1-(1,2-oxazol-3-yl)-4-oxoquinoline-3-carboxylic acid

C18H17FN4O4 — CID 139792981

IUPAC7-[(3R,4S)-3-amino-4-methylpyrrolidin-1-yl]-6-fluoro-1-(1,2-oxazol-3-yl)-4-oxoquinoline-3-carboxylic acid
SMILESC[C@H]1CN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ccon2)C[C@@H]1N
InChIInChI=1S/C18H17FN4O4/c1-9-6-22(8-13(9)20)15-5-14-10(4-12(15)19)17(24)11(18(25)26)7-23(14)16-2-3-27-21-16/h2-5,7,9,13H,6,8,20H2,1H3,(H,25,26)/t9-,13-/m0/s1
InChIKeyYPFVZLNNKWEFHS-ZANVPECISA-N
MW372.36 g/mol
LogP1.60
Rot. Bonds3

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

7-[(3R,4S)-3-amino-4-methylpyrrolidin-1-yl]-6-fluoro-1-(1,2-oxazol-3-yl)-4-oxoquinoline-3-carboxylic acid (PubChem CID 139792981) has the molecular formula C18H17FN4O4 and a molecular weight of 372.36 g/mol. Its IUPAC name is 7-[(3R,4S)-3-amino-4-methylpyrrolidin-1-yl]-6-fluoro-1-(1,2-oxazol-3-yl)-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name7-[(3R,4S)-3-amino-4-methylpyrrolidin-1-yl]-6-fluoro-1-(1,2-oxazol-3-yl)-4-oxoquinoline-3-carboxylic acid
PubChem CID139792981
Molecular FormulaC18H17FN4O4
Molecular Weight372.36 g/mol
Exact Mass372.12
IUPAC Name7-[(3R,4S)-3-amino-4-methylpyrrolidin-1-yl]-6-fluoro-1-(1,2-oxazol-3-yl)-4-oxoquinoline-3-carboxylic acid
SMILESC[C@H]1CN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ccon2)C[C@@H]1N
InChIInChI=1S/C18H17FN4O4/c1-9-6-22(8-13(9)20)15-5-14-10(4-12(15)19)17(24)11(18(25)26)7-23(14)16-2-3-27-21-16/h2-5,7,9,13H,6,8,20H2,1H3,(H,25,26)/t9-,13-/m0/s1
InChIKeyYPFVZLNNKWEFHS-ZANVPECISA-N
XLogP1.60
TPSA114.59 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.36
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 7-[(3R,4S)-3-amino-4-methylpyrrolidin-1-yl]-6-fluoro-1-(1,2-oxazol-3-yl)-4-oxoquinoline-3-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

ethyl 7-[(3S,4S)-3-amino-4-methylpyrrolidin-1-yl]-6-fluoro-1-(1,2-oxazol-3-yl)-4-oxoquinoline-3-carboxylate
CID 67759298
7-(3-amino-4-methylpyrrolidin-1-yl)-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 57248114
6-fluoro-1-(5-fluoro-2-pyridinyl)-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid
CID 18985320
1-cyclopropyl-6-fluoro-7-(4-hydroxy-3,5-dimethylpiperidin-1-yl)-4-oxoquinoline-3-carboxylic acid
CID 10109937
7-(3-aminopyrrolidin-1-yl)-6-fluoro-1-(3-fluoro-4-pyridinyl)-4-oxoquinoline-3-carboxylic acid
CID 18985302
7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-6-fluoro-1-naphthalen-1-yl-4-oxoquinoline-3-carboxylic acid
CID 10718198
5-amino-6,7-difluoro-1-(1,2-oxazol-3-yl)-4-oxoquinoline-3-carboxylic acid
CID 22369317
7-[(3R,4R)-3-(aminomethyl)-4-chloropyrrolidin-1-yl]-1-(2,4-difluorophenyl)-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 70415530
5-amino-7-[2-(3-aminopropanoylamino)-4-methylpyrrolidin-1-yl]-6-fluoro-1-(1,2-oxazol-3-yl)-4-oxoquinoline-3-carboxylic acid
CID 22369314
7-[(3R,4R)-3-amino-4-methylpyrrolidin-1-yl]-1-ethyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
CID 15595862
1-(4-amino-2-fluorophenyl)-6-fluoro-7-morpholin-4-yl-4-oxoquinoline-3-carboxylic acid
CID 5270917
7-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-1-(5-amino-2,4-difluorophenyl)-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 67597973

Frequently Asked Questions

What is the IUPAC name of 7-[(3R,4S)-3-amino-4-methylpyrrolidin-1-yl]-6-fluoro-1-(1,2-oxazol-3-yl)-4-oxoquinoline-3-carboxylic acid?
The IUPAC name of 7-[(3R,4S)-3-amino-4-methylpyrrolidin-1-yl]-6-fluoro-1-(1,2-oxazol-3-yl)-4-oxoquinoline-3-carboxylic acid (CID 139792981) is 7-[(3R,4S)-3-amino-4-methylpyrrolidin-1-yl]-6-fluoro-1-(1,2-oxazol-3-yl)-4-oxoquinoline-3-carboxylic acid.
What is the SMILES notation for 7-[(3R,4S)-3-amino-4-methylpyrrolidin-1-yl]-6-fluoro-1-(1,2-oxazol-3-yl)-4-oxoquinoline-3-carboxylic acid?
The canonical SMILES for 7-[(3R,4S)-3-amino-4-methylpyrrolidin-1-yl]-6-fluoro-1-(1,2-oxazol-3-yl)-4-oxoquinoline-3-carboxylic acid is C[C@H]1CN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ccon2)C[C@@H]1N.
What is the InChIKey of 7-[(3R,4S)-3-amino-4-methylpyrrolidin-1-yl]-6-fluoro-1-(1,2-oxazol-3-yl)-4-oxoquinoline-3-carboxylic acid?
The InChIKey is YPFVZLNNKWEFHS-ZANVPECISA-N. The full InChI is InChI=1S/C18H17FN4O4/c1-9-6-22(8-13(9)20)15-5-14-10(4-12(15)19)17(24)11(18(25)26)7-23(14)16-2-3-27-21-16/h2-5,7,9,13H,6,8,20H2,1H3,(H,25,26)/t9-,13-/m0/s1.
What are the key properties of 7-[(3R,4S)-3-amino-4-methylpyrrolidin-1-yl]-6-fluoro-1-(1,2-oxazol-3-yl)-4-oxoquinoline-3-carboxylic acid?
7-[(3R,4S)-3-amino-4-methylpyrrolidin-1-yl]-6-fluoro-1-(1,2-oxazol-3-yl)-4-oxoquinoline-3-carboxylic acid has a molecular weight of 372.36 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3R,4S)-3-amino-4-methylpyrrolidin-1-yl]-6-fluoro-1-(1,2-oxazol-3-yl)-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 139792981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).