(3R)-1-(6-fluoroquinolin-4-yl)pyrrolidin-3-amine

C13H14FN3 — CID 66954813

IUPAC(3R)-1-(6-fluoroquinolin-4-yl)pyrrolidin-3-amine
SMILESN[C@@H]1CCN(c2ccnc3ccc(F)cc23)C1
InChIInChI=1S/C13H14FN3/c14-9-1-2-12-11(7-9)13(3-5-16-12)17-6-4-10(15)8-17/h1-3,5,7,10H,4,6,8,15H2/t10-/m1/s1
InChIKeyPZNGWLARZFTESV-SNVBAGLBSA-N
MW231.27 g/mol
LogP1.91
Rot. Bonds1

About (3R)-1-(6-fluoroquinolin-4-yl)pyrrolidin-3-amine

(3R)-1-(6-fluoroquinolin-4-yl)pyrrolidin-3-amine (PubChem CID 66954813) has the molecular formula C13H14FN3 and a molecular weight of 231.27 g/mol. Its IUPAC name is (3R)-1-(6-fluoroquinolin-4-yl)pyrrolidin-3-amine.

Molecular Properties

Compound Name(3R)-1-(6-fluoroquinolin-4-yl)pyrrolidin-3-amine
PubChem CID66954813
Molecular FormulaC13H14FN3
Molecular Weight231.27 g/mol
Exact Mass231.12
IUPAC Name(3R)-1-(6-fluoroquinolin-4-yl)pyrrolidin-3-amine
SMILESN[C@@H]1CCN(c2ccnc3ccc(F)cc23)C1
InChIInChI=1S/C13H14FN3/c14-9-1-2-12-11(7-9)13(3-5-16-12)17-6-4-10(15)8-17/h1-3,5,7,10H,4,6,8,15H2/t10-/m1/s1
InChIKeyPZNGWLARZFTESV-SNVBAGLBSA-N
XLogP1.91
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.27
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-(6-fluoroquinolin-4-yl)pyrrolidin-3-amine?
The IUPAC name of (3R)-1-(6-fluoroquinolin-4-yl)pyrrolidin-3-amine (CID 66954813) is (3R)-1-(6-fluoroquinolin-4-yl)pyrrolidin-3-amine.
What is the SMILES notation for (3R)-1-(6-fluoroquinolin-4-yl)pyrrolidin-3-amine?
The canonical SMILES for (3R)-1-(6-fluoroquinolin-4-yl)pyrrolidin-3-amine is N[C@@H]1CCN(c2ccnc3ccc(F)cc23)C1.
What is the InChIKey of (3R)-1-(6-fluoroquinolin-4-yl)pyrrolidin-3-amine?
The InChIKey is PZNGWLARZFTESV-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H14FN3/c14-9-1-2-12-11(7-9)13(3-5-16-12)17-6-4-10(15)8-17/h1-3,5,7,10H,4,6,8,15H2/t10-/m1/s1.
What are the key properties of (3R)-1-(6-fluoroquinolin-4-yl)pyrrolidin-3-amine?
(3R)-1-(6-fluoroquinolin-4-yl)pyrrolidin-3-amine has a molecular weight of 231.27 g/mol, XLogP of 1.91, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(6-fluoroquinolin-4-yl)pyrrolidin-3-amine is sourced from PubChem (CID 66954813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).