2-[[3-(3,5-dimethylpyrazolidin-4-yl)propylamino]methyl]-6-fluoro-1H-quinolin-4-one

C18H25FN4O — CID 134080266

IUPAC2-[[3-(3,5-dimethylpyrazolidin-4-yl)propylamino]methyl]-6-fluoro-1H-quinolin-4-one
SMILESCC1NNC(C)C1CCCNCc1cc(=O)c2cc(F)ccc2[nH]1
InChIInChI=1S/C18H25FN4O/c1-11-15(12(2)23-22-11)4-3-7-20-10-14-9-18(24)16-8-13(19)5-6-17(16)21-14/h5-6,8-9,11-12,15,20,22-23H,3-4,7,10H2,1-2H3,(H,21,24)
InChIKeyTZDXDJAZJRJXMC-UHFFFAOYSA-N
MW332.42 g/mol
LogP2.04
Rot. Bonds6

About 2-[[3-(3,5-dimethylpyrazolidin-4-yl)propylamino]methyl]-6-fluoro-1H-quinolin-4-one

2-[[3-(3,5-dimethylpyrazolidin-4-yl)propylamino]methyl]-6-fluoro-1H-quinolin-4-one (PubChem CID 134080266) has the molecular formula C18H25FN4O and a molecular weight of 332.42 g/mol. Its IUPAC name is 2-[[3-(3,5-dimethylpyrazolidin-4-yl)propylamino]methyl]-6-fluoro-1H-quinolin-4-one.

Molecular Properties

Compound Name2-[[3-(3,5-dimethylpyrazolidin-4-yl)propylamino]methyl]-6-fluoro-1H-quinolin-4-one
PubChem CID134080266
Molecular FormulaC18H25FN4O
Molecular Weight332.42 g/mol
Exact Mass332.20
IUPAC Name2-[[3-(3,5-dimethylpyrazolidin-4-yl)propylamino]methyl]-6-fluoro-1H-quinolin-4-one
SMILESCC1NNC(C)C1CCCNCc1cc(=O)c2cc(F)ccc2[nH]1
InChIInChI=1S/C18H25FN4O/c1-11-15(12(2)23-22-11)4-3-7-20-10-14-9-18(24)16-8-13(19)5-6-17(16)21-14/h5-6,8-9,11-12,15,20,22-23H,3-4,7,10H2,1-2H3,(H,21,24)
InChIKeyTZDXDJAZJRJXMC-UHFFFAOYSA-N
XLogP2.04
TPSA68.95 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.42
LogP ≤ 52.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-fluoro-2-[[2-(2-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]-1H-quinolin-4-one
CID 72842668
2-[[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methylamino]methyl]-6-fluoro-1H-quinolin-4-one
CID 72846574
6-fluoro-2-[[[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methylamino]methyl]-1H-quinolin-4-one
CID 97190797
6-fluoro-2-[[[2-(2-methylimidazol-1-yl)phenyl]methylamino]methyl]-1H-quinolin-4-one
CID 72847538
ethyl 2-(6-fluoro-4-oxo-1H-quinolin-2-yl)acetate
CID 23992270
6-methyl-2-[[2-[(2S)-oxan-2-yl]ethylamino]methyl]-1H-quinolin-4-one
CID 97150785
2-[[[(S)-cyclopropyl-(3-methyl-2-pyridinyl)methyl]amino]methyl]-6-fluoro-1H-quinolin-4-one
CID 97137062
2-(ethylaminomethyl)-1H-quinolin-4-one
CID 71077140
6-fluoro-2-[[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]methyl]-1H-quinolin-4-one
CID 97110018
2-[(4-ethoxypiperidin-1-yl)methyl]-6-fluoro-1H-quinolin-4-one
CID 72904106
2-(aminomethyl)-6-(4-fluorophenoxy)-1H-quinolin-4-one
CID 130302132
6-methyl-2-[[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethylamino]methyl]-1H-quinolin-4-one
CID 72877701

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(3,5-dimethylpyrazolidin-4-yl)propylamino]methyl]-6-fluoro-1H-quinolin-4-one?
The IUPAC name of 2-[[3-(3,5-dimethylpyrazolidin-4-yl)propylamino]methyl]-6-fluoro-1H-quinolin-4-one (CID 134080266) is 2-[[3-(3,5-dimethylpyrazolidin-4-yl)propylamino]methyl]-6-fluoro-1H-quinolin-4-one.
What is the SMILES notation for 2-[[3-(3,5-dimethylpyrazolidin-4-yl)propylamino]methyl]-6-fluoro-1H-quinolin-4-one?
The canonical SMILES for 2-[[3-(3,5-dimethylpyrazolidin-4-yl)propylamino]methyl]-6-fluoro-1H-quinolin-4-one is CC1NNC(C)C1CCCNCc1cc(=O)c2cc(F)ccc2[nH]1.
What is the InChIKey of 2-[[3-(3,5-dimethylpyrazolidin-4-yl)propylamino]methyl]-6-fluoro-1H-quinolin-4-one?
The InChIKey is TZDXDJAZJRJXMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN4O/c1-11-15(12(2)23-22-11)4-3-7-20-10-14-9-18(24)16-8-13(19)5-6-17(16)21-14/h5-6,8-9,11-12,15,20,22-23H,3-4,7,10H2,1-2H3,(H,21,24).
What are the key properties of 2-[[3-(3,5-dimethylpyrazolidin-4-yl)propylamino]methyl]-6-fluoro-1H-quinolin-4-one?
2-[[3-(3,5-dimethylpyrazolidin-4-yl)propylamino]methyl]-6-fluoro-1H-quinolin-4-one has a molecular weight of 332.42 g/mol, XLogP of 2.04, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(3,5-dimethylpyrazolidin-4-yl)propylamino]methyl]-6-fluoro-1H-quinolin-4-one is sourced from PubChem (CID 134080266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).