7-[3-[(cyclopropylamino)methyl]-4-fluoropyrrolidin-1-yl]-2-oxo-1H-quinoline-3-carboxylic acid

C18H20FN3O3 — CID 70944647

IUPAC7-[3-[(cyclopropylamino)methyl]-4-fluoropyrrolidin-1-yl]-2-oxo-1H-quinoline-3-carboxylic acid
SMILESO=C(O)c1cc2ccc(N3CC(F)C(CNC4CC4)C3)cc2[nH]c1=O
InChIInChI=1S/C18H20FN3O3/c19-15-9-22(8-11(15)7-20-12-2-3-12)13-4-1-10-5-14(18(24)25)17(23)21-16(10)6-13/h1,4-6,11-12,15,20H,2-3,7-9H2,(H,21,23)(H,24,25)
InChIKeyQMZJSJVZBGVZDS-UHFFFAOYSA-N
MW345.37 g/mol
LogP1.75
Rot. Bonds5

About 7-[3-[(cyclopropylamino)methyl]-4-fluoropyrrolidin-1-yl]-2-oxo-1H-quinoline-3-carboxylic acid

7-[3-[(cyclopropylamino)methyl]-4-fluoropyrrolidin-1-yl]-2-oxo-1H-quinoline-3-carboxylic acid (PubChem CID 70944647) has the molecular formula C18H20FN3O3 and a molecular weight of 345.37 g/mol. Its IUPAC name is 7-[3-[(cyclopropylamino)methyl]-4-fluoropyrrolidin-1-yl]-2-oxo-1H-quinoline-3-carboxylic acid.

Molecular Properties

Compound Name7-[3-[(cyclopropylamino)methyl]-4-fluoropyrrolidin-1-yl]-2-oxo-1H-quinoline-3-carboxylic acid
PubChem CID70944647
Molecular FormulaC18H20FN3O3
Molecular Weight345.37 g/mol
Exact Mass345.15
IUPAC Name7-[3-[(cyclopropylamino)methyl]-4-fluoropyrrolidin-1-yl]-2-oxo-1H-quinoline-3-carboxylic acid
SMILESO=C(O)c1cc2ccc(N3CC(F)C(CNC4CC4)C3)cc2[nH]c1=O
InChIInChI=1S/C18H20FN3O3/c19-15-9-22(8-11(15)7-20-12-2-3-12)13-4-1-10-5-14(18(24)25)17(23)21-16(10)6-13/h1,4-6,11-12,15,20H,2-3,7-9H2,(H,21,23)(H,24,25)
InChIKeyQMZJSJVZBGVZDS-UHFFFAOYSA-N
XLogP1.75
TPSA85.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 7-[3-[(cyclopropylamino)methyl]-4-fluoropyrrolidin-1-yl]-2-oxo-1H-quinoline-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[4-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]phenyl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid
CID 71292624
7-[3-(1-Aminocyclopropyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-2-oxoquinoline-3-carboxylic acid
CID 118864689
7-[(3R)-3-[(1S)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-2-oxoquinoline-3-carboxylic acid
CID 118864694
7-[(3R)-3-(1-aminocyclopropyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-2-oxoquinoline-3-carboxylic acid
CID 164614179
6-[4-(1-amino-3-azabicyclo[3.1.0]hexan-3-yl)phenyl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid
CID 71281769
6-[4-[3-[1-(dimethylamino)cyclopropyl]pyrrolidin-1-yl]phenyl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid
CID 71281837
5-ethyl-4-hydroxy-6-[4-[3-(methylaminomethyl)pyrrolidin-1-yl]phenyl]-2-oxo-1H-pyridine-3-carboxylic acid
CID 71281945
6-[4-(7-amino-5-azaspiro[2.4]heptan-5-yl)phenyl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid
CID 71281980
6-[4-(dimethylamino)phenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid
CID 71282056
6-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid
CID 71284594
6-[4-[3-(2-aminopropan-2-yl)pyrrolidin-1-yl]phenyl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid
CID 71285362
6-[4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]phenyl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid
CID 71285983

Frequently Asked Questions

What is the IUPAC name of 7-[3-[(cyclopropylamino)methyl]-4-fluoropyrrolidin-1-yl]-2-oxo-1H-quinoline-3-carboxylic acid?
The IUPAC name of 7-[3-[(cyclopropylamino)methyl]-4-fluoropyrrolidin-1-yl]-2-oxo-1H-quinoline-3-carboxylic acid (CID 70944647) is 7-[3-[(cyclopropylamino)methyl]-4-fluoropyrrolidin-1-yl]-2-oxo-1H-quinoline-3-carboxylic acid.
What is the SMILES notation for 7-[3-[(cyclopropylamino)methyl]-4-fluoropyrrolidin-1-yl]-2-oxo-1H-quinoline-3-carboxylic acid?
The canonical SMILES for 7-[3-[(cyclopropylamino)methyl]-4-fluoropyrrolidin-1-yl]-2-oxo-1H-quinoline-3-carboxylic acid is O=C(O)c1cc2ccc(N3CC(F)C(CNC4CC4)C3)cc2[nH]c1=O.
What is the InChIKey of 7-[3-[(cyclopropylamino)methyl]-4-fluoropyrrolidin-1-yl]-2-oxo-1H-quinoline-3-carboxylic acid?
The InChIKey is QMZJSJVZBGVZDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O3/c19-15-9-22(8-11(15)7-20-12-2-3-12)13-4-1-10-5-14(18(24)25)17(23)21-16(10)6-13/h1,4-6,11-12,15,20H,2-3,7-9H2,(H,21,23)(H,24,25).
What are the key properties of 7-[3-[(cyclopropylamino)methyl]-4-fluoropyrrolidin-1-yl]-2-oxo-1H-quinoline-3-carboxylic acid?
7-[3-[(cyclopropylamino)methyl]-4-fluoropyrrolidin-1-yl]-2-oxo-1H-quinoline-3-carboxylic acid has a molecular weight of 345.37 g/mol, XLogP of 1.75, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-[(cyclopropylamino)methyl]-4-fluoropyrrolidin-1-yl]-2-oxo-1H-quinoline-3-carboxylic acid is sourced from PubChem (CID 70944647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).