7-fluoro-8-(2-propan-2-ylpyrrolidin-1-yl)quinolin-5-amine

C16H20FN3 — CID 83164118

IUPAC7-fluoro-8-(2-propan-2-ylpyrrolidin-1-yl)quinolin-5-amine
SMILESCC(C)C1CCCN1c1c(F)cc(N)c2cccnc12
InChIInChI=1S/C16H20FN3/c1-10(2)14-6-4-8-20(14)16-12(17)9-13(18)11-5-3-7-19-15(11)16/h3,5,7,9-10,14H,4,6,8,18H2,1-2H3
InChIKeyDQUTZNCYVRNLLZ-UHFFFAOYSA-N
MW273.35 g/mol
LogP3.58
Rot. Bonds2

About 7-fluoro-8-(2-propan-2-ylpyrrolidin-1-yl)quinolin-5-amine

7-fluoro-8-(2-propan-2-ylpyrrolidin-1-yl)quinolin-5-amine (PubChem CID 83164118) has the molecular formula C16H20FN3 and a molecular weight of 273.35 g/mol. Its IUPAC name is 7-fluoro-8-(2-propan-2-ylpyrrolidin-1-yl)quinolin-5-amine.

Molecular Properties

Compound Name7-fluoro-8-(2-propan-2-ylpyrrolidin-1-yl)quinolin-5-amine
PubChem CID83164118
Molecular FormulaC16H20FN3
Molecular Weight273.35 g/mol
Exact Mass273.16
IUPAC Name7-fluoro-8-(2-propan-2-ylpyrrolidin-1-yl)quinolin-5-amine
SMILESCC(C)C1CCCN1c1c(F)cc(N)c2cccnc12
InChIInChI=1S/C16H20FN3/c1-10(2)14-6-4-8-20(14)16-12(17)9-13(18)11-5-3-7-19-15(11)16/h3,5,7,9-10,14H,4,6,8,18H2,1-2H3
InChIKeyDQUTZNCYVRNLLZ-UHFFFAOYSA-N
XLogP3.58
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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'}

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-8-(2-propan-2-ylpyrrolidin-1-yl)quinolin-5-amine?
The IUPAC name of 7-fluoro-8-(2-propan-2-ylpyrrolidin-1-yl)quinolin-5-amine (CID 83164118) is 7-fluoro-8-(2-propan-2-ylpyrrolidin-1-yl)quinolin-5-amine.
What is the SMILES notation for 7-fluoro-8-(2-propan-2-ylpyrrolidin-1-yl)quinolin-5-amine?
The canonical SMILES for 7-fluoro-8-(2-propan-2-ylpyrrolidin-1-yl)quinolin-5-amine is CC(C)C1CCCN1c1c(F)cc(N)c2cccnc12.
What is the InChIKey of 7-fluoro-8-(2-propan-2-ylpyrrolidin-1-yl)quinolin-5-amine?
The InChIKey is DQUTZNCYVRNLLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3/c1-10(2)14-6-4-8-20(14)16-12(17)9-13(18)11-5-3-7-19-15(11)16/h3,5,7,9-10,14H,4,6,8,18H2,1-2H3.
What are the key properties of 7-fluoro-8-(2-propan-2-ylpyrrolidin-1-yl)quinolin-5-amine?
7-fluoro-8-(2-propan-2-ylpyrrolidin-1-yl)quinolin-5-amine has a molecular weight of 273.35 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-8-(2-propan-2-ylpyrrolidin-1-yl)quinolin-5-amine is sourced from PubChem (CID 83164118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).