8-(3,3-dimethylpyrrolidin-1-yl)-7-fluoroquinolin-5-amine

C15H18FN3 — CID 83165348

IUPAC8-(3,3-dimethylpyrrolidin-1-yl)-7-fluoroquinolin-5-amine
SMILESCC1(C)CCN(c2c(F)cc(N)c3cccnc23)C1
InChIInChI=1S/C15H18FN3/c1-15(2)5-7-19(9-15)14-11(16)8-12(17)10-4-3-6-18-13(10)14/h3-4,6,8H,5,7,9,17H2,1-2H3
InChIKeyZYXSHEFUIDCLER-UHFFFAOYSA-N
MW259.33 g/mol
LogP3.19
Rot. Bonds1

About 8-(3,3-dimethylpyrrolidin-1-yl)-7-fluoroquinolin-5-amine

8-(3,3-dimethylpyrrolidin-1-yl)-7-fluoroquinolin-5-amine (PubChem CID 83165348) has the molecular formula C15H18FN3 and a molecular weight of 259.33 g/mol. Its IUPAC name is 8-(3,3-dimethylpyrrolidin-1-yl)-7-fluoroquinolin-5-amine.

Molecular Properties

Compound Name8-(3,3-dimethylpyrrolidin-1-yl)-7-fluoroquinolin-5-amine
PubChem CID83165348
Molecular FormulaC15H18FN3
Molecular Weight259.33 g/mol
Exact Mass259.15
IUPAC Name8-(3,3-dimethylpyrrolidin-1-yl)-7-fluoroquinolin-5-amine
SMILESCC1(C)CCN(c2c(F)cc(N)c3cccnc23)C1
InChIInChI=1S/C15H18FN3/c1-15(2)5-7-19(9-15)14-11(16)8-12(17)10-4-3-6-18-13(10)14/h3-4,6,8H,5,7,9,17H2,1-2H3
InChIKeyZYXSHEFUIDCLER-UHFFFAOYSA-N
XLogP3.19
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 53.19
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 8-(3,3-dimethylpyrrolidin-1-yl)-7-fluoroquinolin-5-amine?
The IUPAC name of 8-(3,3-dimethylpyrrolidin-1-yl)-7-fluoroquinolin-5-amine (CID 83165348) is 8-(3,3-dimethylpyrrolidin-1-yl)-7-fluoroquinolin-5-amine.
What is the SMILES notation for 8-(3,3-dimethylpyrrolidin-1-yl)-7-fluoroquinolin-5-amine?
The canonical SMILES for 8-(3,3-dimethylpyrrolidin-1-yl)-7-fluoroquinolin-5-amine is CC1(C)CCN(c2c(F)cc(N)c3cccnc23)C1.
What is the InChIKey of 8-(3,3-dimethylpyrrolidin-1-yl)-7-fluoroquinolin-5-amine?
The InChIKey is ZYXSHEFUIDCLER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3/c1-15(2)5-7-19(9-15)14-11(16)8-12(17)10-4-3-6-18-13(10)14/h3-4,6,8H,5,7,9,17H2,1-2H3.
What are the key properties of 8-(3,3-dimethylpyrrolidin-1-yl)-7-fluoroquinolin-5-amine?
8-(3,3-dimethylpyrrolidin-1-yl)-7-fluoroquinolin-5-amine has a molecular weight of 259.33 g/mol, XLogP of 3.19, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3,3-dimethylpyrrolidin-1-yl)-7-fluoroquinolin-5-amine is sourced from PubChem (CID 83165348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).