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

C14H15FN2O3 — CID 15978937

IUPAC(2R)-5-(2-amino-6-fluoroquinolin-4-yl)-2-(hydroxymethyl)oxolan-3-ol
SMILESNc1cc(C2CC(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-/m1/s1
InChIKeyJHRLRUPMDMNMOP-WXRRBKDZSA-N
MW278.28 g/mol
LogP1.14
Rot. Bonds2

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

(2R)-5-(2-amino-6-fluoroquinolin-4-yl)-2-(hydroxymethyl)oxolan-3-ol (PubChem CID 15978937) has the molecular formula C14H15FN2O3 and a molecular weight of 278.28 g/mol. Its IUPAC name is (2R)-5-(2-amino-6-fluoroquinolin-4-yl)-2-(hydroxymethyl)oxolan-3-ol.

Molecular Properties

Compound Name(2R)-5-(2-amino-6-fluoroquinolin-4-yl)-2-(hydroxymethyl)oxolan-3-ol
PubChem CID15978937
Molecular FormulaC14H15FN2O3
Molecular Weight278.28 g/mol
Exact Mass278.11
IUPAC Name(2R)-5-(2-amino-6-fluoroquinolin-4-yl)-2-(hydroxymethyl)oxolan-3-ol
SMILESNc1cc(C2CC(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-/m1/s1
InChIKeyJHRLRUPMDMNMOP-WXRRBKDZSA-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

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Related Compounds

(2R,3S,5R)-5-(6-amino-2-fluoro-3-pyridinyl)-2-(hydroxymethyl)oxolan-3-ol
CID 11622718
(2R)-5-(2-amino-6-fluoroquinolin-4-yl)-2-(hydroxymethyl)oxolan-3-one
CID 71050534
1-[2-Amino-8-(trifluoromethyl)quinolin-4-yl]-4-(cyclohexylmethyl)pent-4-en-1-ol
CID 91563924
(3R)-7-fluoro-3-methyl-1,3-dihydrofuro[3,4-c]quinolin-4-amine
CID 175509132
7-Fluoro-1,3-dihydrofuro[3,4-c]quinolin-4-amine
CID 175509211
2-[(2-Amino-3-fluoroquinolin-7-yl)methyl]-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3,3a-diol
CID 175806618
2-[2-Amino-8-(trifluoromethyl)quinolin-4-yl]propan-2-ol
CID 177288237
(2-Aminoquinolin-7-yl)methanol
CID 11263787
(2R,3S,5R)-5-(2-amino-6-fluoroquinolin-4-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 11492833
(2R,5R)-5-(2-amino-6-fluoroquinolin-4-yl)-2-(hydroxymethyl)oxolan-3-one
CID 11579976
N-[6-fluoro-4-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]quinolin-2-yl]-2-methylpropanamide
CID 11717229
3-(2,2,2-Trifluoroethoxymethyl)quinolin-2-amine
CID 62193317

Frequently Asked Questions

What is the IUPAC name of (2R)-5-(2-amino-6-fluoroquinolin-4-yl)-2-(hydroxymethyl)oxolan-3-ol?
The IUPAC name of (2R)-5-(2-amino-6-fluoroquinolin-4-yl)-2-(hydroxymethyl)oxolan-3-ol (CID 15978937) is (2R)-5-(2-amino-6-fluoroquinolin-4-yl)-2-(hydroxymethyl)oxolan-3-ol.
What is the SMILES notation for (2R)-5-(2-amino-6-fluoroquinolin-4-yl)-2-(hydroxymethyl)oxolan-3-ol?
The canonical SMILES for (2R)-5-(2-amino-6-fluoroquinolin-4-yl)-2-(hydroxymethyl)oxolan-3-ol is Nc1cc(C2CC(O)[C@@H](CO)O2)c2cc(F)ccc2n1.
What is the InChIKey of (2R)-5-(2-amino-6-fluoroquinolin-4-yl)-2-(hydroxymethyl)oxolan-3-ol?
The InChIKey is JHRLRUPMDMNMOP-WXRRBKDZSA-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-/m1/s1.
What are the key properties of (2R)-5-(2-amino-6-fluoroquinolin-4-yl)-2-(hydroxymethyl)oxolan-3-ol?
(2R)-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)-5-(2-amino-6-fluoroquinolin-4-yl)-2-(hydroxymethyl)oxolan-3-ol is sourced from PubChem (CID 15978937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).