8-(2,5-dimethylpiperidin-1-yl)-7-fluoroquinolin-5-amine

C16H20FN3 — CID 83166349

IUPAC8-(2,5-dimethylpiperidin-1-yl)-7-fluoroquinolin-5-amine
SMILESCC1CCC(C)N(c2c(F)cc(N)c3cccnc23)C1
InChIInChI=1S/C16H20FN3/c1-10-5-6-11(2)20(9-10)16-13(17)8-14(18)12-4-3-7-19-15(12)16/h3-4,7-8,10-11H,5-6,9,18H2,1-2H3
InChIKeyGXKVDSLOQLEFIT-UHFFFAOYSA-N
MW273.35 g/mol
LogP3.58
Rot. Bonds1

About 8-(2,5-dimethylpiperidin-1-yl)-7-fluoroquinolin-5-amine

8-(2,5-dimethylpiperidin-1-yl)-7-fluoroquinolin-5-amine (PubChem CID 83166349) has the molecular formula C16H20FN3 and a molecular weight of 273.35 g/mol. Its IUPAC name is 8-(2,5-dimethylpiperidin-1-yl)-7-fluoroquinolin-5-amine.

Molecular Properties

Compound Name8-(2,5-dimethylpiperidin-1-yl)-7-fluoroquinolin-5-amine
PubChem CID83166349
Molecular FormulaC16H20FN3
Molecular Weight273.35 g/mol
Exact Mass273.16
IUPAC Name8-(2,5-dimethylpiperidin-1-yl)-7-fluoroquinolin-5-amine
SMILESCC1CCC(C)N(c2c(F)cc(N)c3cccnc23)C1
InChIInChI=1S/C16H20FN3/c1-10-5-6-11(2)20(9-10)16-13(17)8-14(18)12-4-3-7-19-15(12)16/h3-4,7-8,10-11H,5-6,9,18H2,1-2H3
InChIKeyGXKVDSLOQLEFIT-UHFFFAOYSA-N
XLogP3.58
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 8-(2,5-dimethylpiperidin-1-yl)-7-fluoroquinolin-5-amine 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

7-fluoro-8-(2-propan-2-ylpyrrolidin-1-yl)quinolin-5-amine
CID 83164118
7-fluoro-8-(3-methoxy-4-methylpiperidin-1-yl)quinolin-5-amine
CID 102955565
1-[1-(5-amino-7-fluoroquinolin-8-yl)pyrrolidin-3-yl]ethanol
CID 115964840
8-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-7-fluoroquinolin-5-amine
CID 83166153
1-(5-amino-7-fluoroquinolin-8-yl)piperidine-4-carboxamide
CID 83163699
7-fluoro-8-(3-methylpyrazol-1-yl)quinolin-5-amine
CID 83165173
8-(3,3-dimethylpyrrolidin-1-yl)-7-fluoroquinolin-5-amine
CID 83165348
7-fluoro-8-(4-methyl-1,4-diazepan-1-yl)quinolin-5-amine
CID 83173958
7-fluoro-8-[3-(trifluoromethyl)pyrazol-1-yl]quinolin-5-amine
CID 83164479
7-fluoro-8-(1,4-oxazepan-4-yl)quinolin-5-amine
CID 83164110
1-(5-amino-7-fluoroquinolin-8-yl)-1,4-diazepan-5-one
CID 83164796
1-(5-amino-7-fluoroquinolin-8-yl)-4-methylazepan-4-ol
CID 107403613

Frequently Asked Questions

What is the IUPAC name of 8-(2,5-dimethylpiperidin-1-yl)-7-fluoroquinolin-5-amine?
The IUPAC name of 8-(2,5-dimethylpiperidin-1-yl)-7-fluoroquinolin-5-amine (CID 83166349) is 8-(2,5-dimethylpiperidin-1-yl)-7-fluoroquinolin-5-amine.
What is the SMILES notation for 8-(2,5-dimethylpiperidin-1-yl)-7-fluoroquinolin-5-amine?
The canonical SMILES for 8-(2,5-dimethylpiperidin-1-yl)-7-fluoroquinolin-5-amine is CC1CCC(C)N(c2c(F)cc(N)c3cccnc23)C1.
What is the InChIKey of 8-(2,5-dimethylpiperidin-1-yl)-7-fluoroquinolin-5-amine?
The InChIKey is GXKVDSLOQLEFIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3/c1-10-5-6-11(2)20(9-10)16-13(17)8-14(18)12-4-3-7-19-15(12)16/h3-4,7-8,10-11H,5-6,9,18H2,1-2H3.
What are the key properties of 8-(2,5-dimethylpiperidin-1-yl)-7-fluoroquinolin-5-amine?
8-(2,5-dimethylpiperidin-1-yl)-7-fluoroquinolin-5-amine has a molecular weight of 273.35 g/mol, XLogP of 3.58, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,5-dimethylpiperidin-1-yl)-7-fluoroquinolin-5-amine is sourced from PubChem (CID 83166349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).