7-(3-aminopyrrolidin-1-yl)-6-fluoro-5-methoxy-4-oxo-1H-quinoline-3-carboxylic acid

C15H16FN3O4 — CID 11186310

IUPAC7-(3-aminopyrrolidin-1-yl)-6-fluoro-5-methoxy-4-oxo-1H-quinoline-3-carboxylic acid
SMILESCOc1c(F)c(N2CCC(N)C2)cc2[nH]cc(C(=O)O)c(=O)c12
InChIInChI=1S/C15H16FN3O4/c1-23-14-11-9(18-5-8(13(11)20)15(21)22)4-10(12(14)16)19-3-2-7(17)6-19/h4-5,7H,2-3,6,17H2,1H3,(H,18,20)(H,21,22)
InChIKeyRRLBLOKFLVZKMC-UHFFFAOYSA-N
MW321.31 g/mol
LogP0.91
Rot. Bonds3

About 7-(3-aminopyrrolidin-1-yl)-6-fluoro-5-methoxy-4-oxo-1H-quinoline-3-carboxylic acid

7-(3-aminopyrrolidin-1-yl)-6-fluoro-5-methoxy-4-oxo-1H-quinoline-3-carboxylic acid (PubChem CID 11186310) has the molecular formula C15H16FN3O4 and a molecular weight of 321.31 g/mol. Its IUPAC name is 7-(3-aminopyrrolidin-1-yl)-6-fluoro-5-methoxy-4-oxo-1H-quinoline-3-carboxylic acid.

Molecular Properties

Compound Name7-(3-aminopyrrolidin-1-yl)-6-fluoro-5-methoxy-4-oxo-1H-quinoline-3-carboxylic acid
PubChem CID11186310
Molecular FormulaC15H16FN3O4
Molecular Weight321.31 g/mol
Exact Mass321.11
IUPAC Name7-(3-aminopyrrolidin-1-yl)-6-fluoro-5-methoxy-4-oxo-1H-quinoline-3-carboxylic acid
SMILESCOc1c(F)c(N2CCC(N)C2)cc2[nH]cc(C(=O)O)c(=O)c12
InChIInChI=1S/C15H16FN3O4/c1-23-14-11-9(18-5-8(13(11)20)15(21)22)4-10(12(14)16)19-3-2-7(17)6-19/h4-5,7H,2-3,6,17H2,1H3,(H,18,20)(H,21,22)
InChIKeyRRLBLOKFLVZKMC-UHFFFAOYSA-N
XLogP0.91
TPSA108.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.31
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

7-(3-aminopyrrolidin-1-yl)-6-fluoro-4-oxo-1H-quinoline-3-carboxylic acid
CID 19018952
7-[(3R)-3-aminopyrrolidin-1-yl]-6-fluoro-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid
CID 10017205
5-amino-7-(3-aminopyrrolidin-1-yl)-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid;hydrochloride
CID 3025927
7-(3-aminopyrrolidin-1-yl)-1-ethyl-6-fluoro-5-methyl-4-oxoquinoline-3-carboxylic acid;hydrochloride
CID 70277764
7-(3-aminopyrrolidin-1-yl)-5,6-dimethyl-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid
CID 10266901
7-(3-aminopyrrolidin-1-yl)-1-cyclopropyl-6-fluoro-5-hydroxy-4-oxoquinoline-3-carboxylic acid
CID 14896587
6-acetyl-7-(3-aminopyrrolidin-1-yl)-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid
CID 67275600
7-[(3R)-3-aminoazepan-1-yl]-4-oxo-1H-quinoline-3-carboxylic acid
CID 46917304
7-[(3S)-3-aminopyrrolidin-1-yl]-1-ethyl-6-fluoro-5-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid;hydrate;hydrochloride
CID 70367935
6-[fluoro(methyl)amino]-7-[3-(methylaminomethyl)pyrrolidin-1-yl]-4-oxo-1H-quinoline-3-carboxylic acid
CID 88690154
5-(1-aminocyclopropyl)-6,7-difluoro-8-methoxy-4-oxo-1H-quinoline-3-carboxylic acid
CID 57295330
7-(3-amino-4-methylpiperidin-1-yl)-6-cyclopropyl-8-methoxy-4-oxo-1H-quinoline-3-carboxylic acid
CID 70278208

Frequently Asked Questions

What is the IUPAC name of 7-(3-aminopyrrolidin-1-yl)-6-fluoro-5-methoxy-4-oxo-1H-quinoline-3-carboxylic acid?
The IUPAC name of 7-(3-aminopyrrolidin-1-yl)-6-fluoro-5-methoxy-4-oxo-1H-quinoline-3-carboxylic acid (CID 11186310) is 7-(3-aminopyrrolidin-1-yl)-6-fluoro-5-methoxy-4-oxo-1H-quinoline-3-carboxylic acid.
What is the SMILES notation for 7-(3-aminopyrrolidin-1-yl)-6-fluoro-5-methoxy-4-oxo-1H-quinoline-3-carboxylic acid?
The canonical SMILES for 7-(3-aminopyrrolidin-1-yl)-6-fluoro-5-methoxy-4-oxo-1H-quinoline-3-carboxylic acid is COc1c(F)c(N2CCC(N)C2)cc2[nH]cc(C(=O)O)c(=O)c12.
What is the InChIKey of 7-(3-aminopyrrolidin-1-yl)-6-fluoro-5-methoxy-4-oxo-1H-quinoline-3-carboxylic acid?
The InChIKey is RRLBLOKFLVZKMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O4/c1-23-14-11-9(18-5-8(13(11)20)15(21)22)4-10(12(14)16)19-3-2-7(17)6-19/h4-5,7H,2-3,6,17H2,1H3,(H,18,20)(H,21,22).
What are the key properties of 7-(3-aminopyrrolidin-1-yl)-6-fluoro-5-methoxy-4-oxo-1H-quinoline-3-carboxylic acid?
7-(3-aminopyrrolidin-1-yl)-6-fluoro-5-methoxy-4-oxo-1H-quinoline-3-carboxylic acid has a molecular weight of 321.31 g/mol, XLogP of 0.91, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-aminopyrrolidin-1-yl)-6-fluoro-5-methoxy-4-oxo-1H-quinoline-3-carboxylic acid is sourced from PubChem (CID 11186310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).