(2R,5R)-5-(2-amino-6-fluoroquinolin-4-yl)-2-(hydroxymethyl)oxolan-3-one

C14H13FN2O3 — CID 11579976

IUPAC(2R,5R)-5-(2-amino-6-fluoroquinolin-4-yl)-2-(hydroxymethyl)oxolan-3-one
SMILESNc1cc([C@H]2CC(=O)[C@@H](CO)O2)c2cc(F)ccc2n1
InChIInChI=1S/C14H13FN2O3/c15-7-1-2-10-8(3-7)9(4-14(16)17-10)12-5-11(19)13(6-18)20-12/h1-4,12-13,18H,5-6H2,(H2,16,17)/t12-,13-/m1/s1
InChIKeyZUOXTFVRUIEDMZ-CHWSQXEVSA-N
MW276.27 g/mol
LogP1.35
Rot. Bonds2

About (2R,5R)-5-(2-amino-6-fluoroquinolin-4-yl)-2-(hydroxymethyl)oxolan-3-one

(2R,5R)-5-(2-amino-6-fluoroquinolin-4-yl)-2-(hydroxymethyl)oxolan-3-one (PubChem CID 11579976) has the molecular formula C14H13FN2O3 and a molecular weight of 276.27 g/mol. Its IUPAC name is (2R,5R)-5-(2-amino-6-fluoroquinolin-4-yl)-2-(hydroxymethyl)oxolan-3-one.

Molecular Properties

Compound Name(2R,5R)-5-(2-amino-6-fluoroquinolin-4-yl)-2-(hydroxymethyl)oxolan-3-one
PubChem CID11579976
Molecular FormulaC14H13FN2O3
Molecular Weight276.27 g/mol
Exact Mass276.09
IUPAC Name(2R,5R)-5-(2-amino-6-fluoroquinolin-4-yl)-2-(hydroxymethyl)oxolan-3-one
SMILESNc1cc([C@H]2CC(=O)[C@@H](CO)O2)c2cc(F)ccc2n1
InChIInChI=1S/C14H13FN2O3/c15-7-1-2-10-8(3-7)9(4-14(16)17-10)12-5-11(19)13(6-18)20-12/h1-4,12-13,18H,5-6H2,(H2,16,17)/t12-,13-/m1/s1
InChIKeyZUOXTFVRUIEDMZ-CHWSQXEVSA-N
XLogP1.35
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.27
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,5R)-5-(2-amino-6-fluoroquinolin-4-yl)-2-(hydroxymethyl)oxolan-3-one?
The IUPAC name of (2R,5R)-5-(2-amino-6-fluoroquinolin-4-yl)-2-(hydroxymethyl)oxolan-3-one (CID 11579976) is (2R,5R)-5-(2-amino-6-fluoroquinolin-4-yl)-2-(hydroxymethyl)oxolan-3-one.
What is the SMILES notation for (2R,5R)-5-(2-amino-6-fluoroquinolin-4-yl)-2-(hydroxymethyl)oxolan-3-one?
The canonical SMILES for (2R,5R)-5-(2-amino-6-fluoroquinolin-4-yl)-2-(hydroxymethyl)oxolan-3-one is Nc1cc([C@H]2CC(=O)[C@@H](CO)O2)c2cc(F)ccc2n1.
What is the InChIKey of (2R,5R)-5-(2-amino-6-fluoroquinolin-4-yl)-2-(hydroxymethyl)oxolan-3-one?
The InChIKey is ZUOXTFVRUIEDMZ-CHWSQXEVSA-N. The full InChI is InChI=1S/C14H13FN2O3/c15-7-1-2-10-8(3-7)9(4-14(16)17-10)12-5-11(19)13(6-18)20-12/h1-4,12-13,18H,5-6H2,(H2,16,17)/t12-,13-/m1/s1.
What are the key properties of (2R,5R)-5-(2-amino-6-fluoroquinolin-4-yl)-2-(hydroxymethyl)oxolan-3-one?
(2R,5R)-5-(2-amino-6-fluoroquinolin-4-yl)-2-(hydroxymethyl)oxolan-3-one has a molecular weight of 276.27 g/mol, XLogP of 1.35, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-5-(2-amino-6-fluoroquinolin-4-yl)-2-(hydroxymethyl)oxolan-3-one is sourced from PubChem (CID 11579976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).