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

C14H15FN2O3 — CID 11492833

IUPAC(2R,3S,5R)-5-(2-amino-6-fluoroquinolin-4-yl)-2-(hydroxymethyl)oxolan-3-ol
SMILESNc1cc([C@H]2C[C@H](O)[C@@H](CO)O2)c2cc(F)ccc2n1
InChIInChI=1S/C14H15FN2O3/c15-7-1-2-10-8(3-7)9(4-14(16)17-10)12-5-11(19)13(6-18)20-12/h1-4,11-13,18-19H,5-6H2,(H2,16,17)/t11-,12+,13+/m0/s1
InChIKeyJHRLRUPMDMNMOP-YNEHKIRRSA-N
MW278.28 g/mol
LogP1.14
Rot. Bonds2

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

(2R,3S,5R)-5-(2-amino-6-fluoroquinolin-4-yl)-2-(hydroxymethyl)oxolan-3-ol (PubChem CID 11492833) has the molecular formula C14H15FN2O3 and a molecular weight of 278.28 g/mol. Its IUPAC name is (2R,3S,5R)-5-(2-amino-6-fluoroquinolin-4-yl)-2-(hydroxymethyl)oxolan-3-ol.

Molecular Properties

Compound Name(2R,3S,5R)-5-(2-amino-6-fluoroquinolin-4-yl)-2-(hydroxymethyl)oxolan-3-ol
PubChem CID11492833
Molecular FormulaC14H15FN2O3
Molecular Weight278.28 g/mol
Exact Mass278.11
IUPAC Name(2R,3S,5R)-5-(2-amino-6-fluoroquinolin-4-yl)-2-(hydroxymethyl)oxolan-3-ol
SMILESNc1cc([C@H]2C[C@H](O)[C@@H](CO)O2)c2cc(F)ccc2n1
InChIInChI=1S/C14H15FN2O3/c15-7-1-2-10-8(3-7)9(4-14(16)17-10)12-5-11(19)13(6-18)20-12/h1-4,11-13,18-19H,5-6H2,(H2,16,17)/t11-,12+,13+/m0/s1
InChIKeyJHRLRUPMDMNMOP-YNEHKIRRSA-N
XLogP1.14
TPSA88.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2R,3S,5R)-5-(2-amino-6-fluoroquinolin-4-yl)-2-(hydroxymethyl)oxolan-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,3S,5R)-5-(2-amino-6-fluoroquinolin-4-yl)-2-(hydroxymethyl)oxolan-3-ol?
The IUPAC name of (2R,3S,5R)-5-(2-amino-6-fluoroquinolin-4-yl)-2-(hydroxymethyl)oxolan-3-ol (CID 11492833) is (2R,3S,5R)-5-(2-amino-6-fluoroquinolin-4-yl)-2-(hydroxymethyl)oxolan-3-ol.
What is the SMILES notation for (2R,3S,5R)-5-(2-amino-6-fluoroquinolin-4-yl)-2-(hydroxymethyl)oxolan-3-ol?
The canonical SMILES for (2R,3S,5R)-5-(2-amino-6-fluoroquinolin-4-yl)-2-(hydroxymethyl)oxolan-3-ol is Nc1cc([C@H]2C[C@H](O)[C@@H](CO)O2)c2cc(F)ccc2n1.
What is the InChIKey of (2R,3S,5R)-5-(2-amino-6-fluoroquinolin-4-yl)-2-(hydroxymethyl)oxolan-3-ol?
The InChIKey is JHRLRUPMDMNMOP-YNEHKIRRSA-N. The full InChI is InChI=1S/C14H15FN2O3/c15-7-1-2-10-8(3-7)9(4-14(16)17-10)12-5-11(19)13(6-18)20-12/h1-4,11-13,18-19H,5-6H2,(H2,16,17)/t11-,12+,13+/m0/s1.
What are the key properties of (2R,3S,5R)-5-(2-amino-6-fluoroquinolin-4-yl)-2-(hydroxymethyl)oxolan-3-ol?
(2R,3S,5R)-5-(2-amino-6-fluoroquinolin-4-yl)-2-(hydroxymethyl)oxolan-3-ol has a molecular weight of 278.28 g/mol, XLogP of 1.14, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,5R)-5-(2-amino-6-fluoroquinolin-4-yl)-2-(hydroxymethyl)oxolan-3-ol is sourced from PubChem (CID 11492833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).