(3R)-1-[7-(2-aminoethyl)-5-fluoroquinolin-8-yl]pyrrolidin-3-ol

C15H18FN3O — CID 67248084

IUPAC(3R)-1-[7-(2-aminoethyl)-5-fluoroquinolin-8-yl]pyrrolidin-3-ol
SMILESNCCc1cc(F)c2cccnc2c1N1CC[C@@H](O)C1
InChIInChI=1S/C15H18FN3O/c16-13-8-10(3-5-17)15(19-7-4-11(20)9-19)14-12(13)2-1-6-18-14/h1-2,6,8,11,20H,3-5,7,9,17H2/t11-/m1/s1
InChIKeyYKSIGTNTYAAQCG-LLVKDONJSA-N
MW275.33 g/mol
LogP1.45
Rot. Bonds3

About (3R)-1-[7-(2-aminoethyl)-5-fluoroquinolin-8-yl]pyrrolidin-3-ol

(3R)-1-[7-(2-aminoethyl)-5-fluoroquinolin-8-yl]pyrrolidin-3-ol (PubChem CID 67248084) has the molecular formula C15H18FN3O and a molecular weight of 275.33 g/mol. Its IUPAC name is (3R)-1-[7-(2-aminoethyl)-5-fluoroquinolin-8-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-1-[7-(2-aminoethyl)-5-fluoroquinolin-8-yl]pyrrolidin-3-ol
PubChem CID67248084
Molecular FormulaC15H18FN3O
Molecular Weight275.33 g/mol
Exact Mass275.14
IUPAC Name(3R)-1-[7-(2-aminoethyl)-5-fluoroquinolin-8-yl]pyrrolidin-3-ol
SMILESNCCc1cc(F)c2cccnc2c1N1CC[C@@H](O)C1
InChIInChI=1S/C15H18FN3O/c16-13-8-10(3-5-17)15(19-7-4-11(20)9-19)14-12(13)2-1-6-18-14/h1-2,6,8,11,20H,3-5,7,9,17H2/t11-/m1/s1
InChIKeyYKSIGTNTYAAQCG-LLVKDONJSA-N
XLogP1.45
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-[7-(2-aminoethyl)-5-fluoroquinolin-8-yl]pyrrolidin-3-ol?
The IUPAC name of (3R)-1-[7-(2-aminoethyl)-5-fluoroquinolin-8-yl]pyrrolidin-3-ol (CID 67248084) is (3R)-1-[7-(2-aminoethyl)-5-fluoroquinolin-8-yl]pyrrolidin-3-ol.
What is the SMILES notation for (3R)-1-[7-(2-aminoethyl)-5-fluoroquinolin-8-yl]pyrrolidin-3-ol?
The canonical SMILES for (3R)-1-[7-(2-aminoethyl)-5-fluoroquinolin-8-yl]pyrrolidin-3-ol is NCCc1cc(F)c2cccnc2c1N1CC[C@@H](O)C1.
What is the InChIKey of (3R)-1-[7-(2-aminoethyl)-5-fluoroquinolin-8-yl]pyrrolidin-3-ol?
The InChIKey is YKSIGTNTYAAQCG-LLVKDONJSA-N. The full InChI is InChI=1S/C15H18FN3O/c16-13-8-10(3-5-17)15(19-7-4-11(20)9-19)14-12(13)2-1-6-18-14/h1-2,6,8,11,20H,3-5,7,9,17H2/t11-/m1/s1.
What are the key properties of (3R)-1-[7-(2-aminoethyl)-5-fluoroquinolin-8-yl]pyrrolidin-3-ol?
(3R)-1-[7-(2-aminoethyl)-5-fluoroquinolin-8-yl]pyrrolidin-3-ol has a molecular weight of 275.33 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[7-(2-aminoethyl)-5-fluoroquinolin-8-yl]pyrrolidin-3-ol is sourced from PubChem (CID 67248084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).