1-[(5-fluoroquinolin-8-yl)methyl]-N-methylpyrrolidin-3-amine

C15H18FN3 — CID 81493159

IUPAC1-[(5-fluoroquinolin-8-yl)methyl]-N-methylpyrrolidin-3-amine
SMILESCNC1CCN(Cc2ccc(F)c3cccnc23)C1
InChIInChI=1S/C15H18FN3/c1-17-12-6-8-19(10-12)9-11-4-5-14(16)13-3-2-7-18-15(11)13/h2-5,7,12,17H,6,8-10H2,1H3
InChIKeyVBNQZYXDXNJVJJ-UHFFFAOYSA-N
MW259.33 g/mol
LogP2.17
Rot. Bonds3

About 1-[(5-fluoroquinolin-8-yl)methyl]-N-methylpyrrolidin-3-amine

1-[(5-fluoroquinolin-8-yl)methyl]-N-methylpyrrolidin-3-amine (PubChem CID 81493159) has the molecular formula C15H18FN3 and a molecular weight of 259.33 g/mol. Its IUPAC name is 1-[(5-fluoroquinolin-8-yl)methyl]-N-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[(5-fluoroquinolin-8-yl)methyl]-N-methylpyrrolidin-3-amine
PubChem CID81493159
Molecular FormulaC15H18FN3
Molecular Weight259.33 g/mol
Exact Mass259.15
IUPAC Name1-[(5-fluoroquinolin-8-yl)methyl]-N-methylpyrrolidin-3-amine
SMILESCNC1CCN(Cc2ccc(F)c3cccnc23)C1
InChIInChI=1S/C15H18FN3/c1-17-12-6-8-19(10-12)9-11-4-5-14(16)13-3-2-7-18-15(11)13/h2-5,7,12,17H,6,8-10H2,1H3
InChIKeyVBNQZYXDXNJVJJ-UHFFFAOYSA-N
XLogP2.17
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[(5-fluoroquinolin-8-yl)methyl]piperidin-4-yl]-N-methylmethanamine
CID 63249000
4-[(5-fluoroquinolin-8-yl)methyl]-2-methylmorpholine
CID 42957454
2-[(5-fluoroquinolin-8-yl)methyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 49234559
1-[1-[(5-fluoroquinolin-8-yl)methyl]piperidin-2-yl]-N-methylmethanamine
CID 63250206
(2S)-1-[(2S)-4-[(5-fluoroquinolin-8-yl)methyl]-2-methylpiperazin-1-yl]propan-2-ol
CID 98763722
5-fluoro-8-[[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]methyl]quinoline
CID 37385220
(3S,4R)-1-[(5-fluoroquinolin-8-yl)methyl]-4-phenylpyrrolidin-3-amine
CID 120769922
5-fluoro-8-[[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]quinoline
CID 95309916
1-[(2-fluoro-4-methylphenyl)methyl]-N-methylpyrrolidin-3-amine
CID 118671533
N-methyl-1-(naphthalen-1-ylmethyl)pyrrolidin-3-amine
CID 62369278
3-[[4-[(5-fluoroquinolin-8-yl)methyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole
CID 56812503
1-[(2-chloro-3-fluorophenyl)methyl]-N-methylpyrrolidin-3-amine
CID 112652863

Frequently Asked Questions

What is the IUPAC name of 1-[(5-fluoroquinolin-8-yl)methyl]-N-methylpyrrolidin-3-amine?
The IUPAC name of 1-[(5-fluoroquinolin-8-yl)methyl]-N-methylpyrrolidin-3-amine (CID 81493159) is 1-[(5-fluoroquinolin-8-yl)methyl]-N-methylpyrrolidin-3-amine.
What is the SMILES notation for 1-[(5-fluoroquinolin-8-yl)methyl]-N-methylpyrrolidin-3-amine?
The canonical SMILES for 1-[(5-fluoroquinolin-8-yl)methyl]-N-methylpyrrolidin-3-amine is CNC1CCN(Cc2ccc(F)c3cccnc23)C1.
What is the InChIKey of 1-[(5-fluoroquinolin-8-yl)methyl]-N-methylpyrrolidin-3-amine?
The InChIKey is VBNQZYXDXNJVJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3/c1-17-12-6-8-19(10-12)9-11-4-5-14(16)13-3-2-7-18-15(11)13/h2-5,7,12,17H,6,8-10H2,1H3.
What are the key properties of 1-[(5-fluoroquinolin-8-yl)methyl]-N-methylpyrrolidin-3-amine?
1-[(5-fluoroquinolin-8-yl)methyl]-N-methylpyrrolidin-3-amine has a molecular weight of 259.33 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-fluoroquinolin-8-yl)methyl]-N-methylpyrrolidin-3-amine is sourced from PubChem (CID 81493159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).