7-(3-aminopyrrolidin-1-yl)-8-fluoro-2-oxo-1H-quinoline-3-carboxylic acid

C14H14FN3O3 — CID 67805444

IUPAC7-(3-aminopyrrolidin-1-yl)-8-fluoro-2-oxo-1H-quinoline-3-carboxylic acid
SMILESNC1CCN(c2ccc3cc(C(=O)O)c(=O)[nH]c3c2F)C1
InChIInChI=1S/C14H14FN3O3/c15-11-10(18-4-3-8(16)6-18)2-1-7-5-9(14(20)21)13(19)17-12(7)11/h1-2,5,8H,3-4,6,16H2,(H,17,19)(H,20,21)
InChIKeyDQEUYXUSPJWVDF-UHFFFAOYSA-N
MW291.28 g/mol
LogP0.90
Rot. Bonds2

About 7-(3-aminopyrrolidin-1-yl)-8-fluoro-2-oxo-1H-quinoline-3-carboxylic acid

7-(3-aminopyrrolidin-1-yl)-8-fluoro-2-oxo-1H-quinoline-3-carboxylic acid (PubChem CID 67805444) has the molecular formula C14H14FN3O3 and a molecular weight of 291.28 g/mol. Its IUPAC name is 7-(3-aminopyrrolidin-1-yl)-8-fluoro-2-oxo-1H-quinoline-3-carboxylic acid.

Molecular Properties

Compound Name7-(3-aminopyrrolidin-1-yl)-8-fluoro-2-oxo-1H-quinoline-3-carboxylic acid
PubChem CID67805444
Molecular FormulaC14H14FN3O3
Molecular Weight291.28 g/mol
Exact Mass291.10
IUPAC Name7-(3-aminopyrrolidin-1-yl)-8-fluoro-2-oxo-1H-quinoline-3-carboxylic acid
SMILESNC1CCN(c2ccc3cc(C(=O)O)c(=O)[nH]c3c2F)C1
InChIInChI=1S/C14H14FN3O3/c15-11-10(18-4-3-8(16)6-18)2-1-7-5-9(14(20)21)13(19)17-12(7)11/h1-2,5,8H,3-4,6,16H2,(H,17,19)(H,20,21)
InChIKeyDQEUYXUSPJWVDF-UHFFFAOYSA-N
XLogP0.90
TPSA99.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.28
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-aminopiperidin-1-yl)-2,3-difluorobenzoic acid
CID 79841068
6,7,8-trifluoro-2-oxo-1H-quinoline-3-carboxylic acid
CID 22690298
7-[3-(aminomethyl)pyrrolidin-1-yl]-2-oxo-1H-quinoline-3-carboxylic acid
CID 54078426
7-(3-aminopyrrolidin-1-yl)-6-fluoro-4-oxo-1H-quinoline-3-carboxylic acid
CID 19018952
8-fluoro-7-(3-methylpentan-3-yl)-2-oxo-1H-quinoline-3-carboxylic acid
CID 176988643
7-(3-aminopyrrolidin-1-yl)-6-fluoro-5-methoxy-4-oxo-1H-quinoline-3-carboxylic acid
CID 11186310
4-(3-aminopyrrolidin-1-yl)-2-bromo-3-fluorobenzonitrile
CID 107537637
7-(3-aminopyrrolidin-1-yl)-1-cyclopropyl-6-fluoro-5-hydroxy-4-oxoquinoline-3-carboxylic acid
CID 14896587
2-[(3S)-3-aminopyrrolidin-1-yl]-5-(4-fluorophenyl)benzonitrile
CID 67060424
7-[(3R)-3-aminopyrrolidin-1-yl]-6-fluoro-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid
CID 10017205
2-(3-aminopyrrolidin-1-yl)-5-(4-fluorophenyl)benzonitrile;hydrochloride
CID 67060466
7-(3-aminopyrrolidin-1-yl)-1-ethyl-6-fluoro-5-methyl-4-oxoquinoline-3-carboxylic acid;hydrochloride
CID 70277764

Frequently Asked Questions

What is the IUPAC name of 7-(3-aminopyrrolidin-1-yl)-8-fluoro-2-oxo-1H-quinoline-3-carboxylic acid?
The IUPAC name of 7-(3-aminopyrrolidin-1-yl)-8-fluoro-2-oxo-1H-quinoline-3-carboxylic acid (CID 67805444) is 7-(3-aminopyrrolidin-1-yl)-8-fluoro-2-oxo-1H-quinoline-3-carboxylic acid.
What is the SMILES notation for 7-(3-aminopyrrolidin-1-yl)-8-fluoro-2-oxo-1H-quinoline-3-carboxylic acid?
The canonical SMILES for 7-(3-aminopyrrolidin-1-yl)-8-fluoro-2-oxo-1H-quinoline-3-carboxylic acid is NC1CCN(c2ccc3cc(C(=O)O)c(=O)[nH]c3c2F)C1.
What is the InChIKey of 7-(3-aminopyrrolidin-1-yl)-8-fluoro-2-oxo-1H-quinoline-3-carboxylic acid?
The InChIKey is DQEUYXUSPJWVDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O3/c15-11-10(18-4-3-8(16)6-18)2-1-7-5-9(14(20)21)13(19)17-12(7)11/h1-2,5,8H,3-4,6,16H2,(H,17,19)(H,20,21).
What are the key properties of 7-(3-aminopyrrolidin-1-yl)-8-fluoro-2-oxo-1H-quinoline-3-carboxylic acid?
7-(3-aminopyrrolidin-1-yl)-8-fluoro-2-oxo-1H-quinoline-3-carboxylic acid has a molecular weight of 291.28 g/mol, XLogP of 0.90, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-aminopyrrolidin-1-yl)-8-fluoro-2-oxo-1H-quinoline-3-carboxylic acid is sourced from PubChem (CID 67805444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).