(1S)-1-[(2S,5R)-5-aminooxan-2-yl]-2-(6-fluoro-3-methoxyquinoxalin-5-yl)ethanol

C16H20FN3O3 — CID 67432163

IUPAC(1S)-1-[(2S,5R)-5-aminooxan-2-yl]-2-(6-fluoro-3-methoxyquinoxalin-5-yl)ethanol
SMILESCOc1cnc2ccc(F)c(C[C@H](O)[C@@H]3CC[C@@H](N)CO3)c2n1
InChIInChI=1S/C16H20FN3O3/c1-22-15-7-19-12-4-3-11(17)10(16(12)20-15)6-13(21)14-5-2-9(18)8-23-14/h3-4,7,9,13-14,21H,2,5-6,8,18H2,1H3/t9-,13+,14+/m1/s1
InChIKeyBZEBHFTZFJEQCF-IIMNLJJBSA-N
MW321.35 g/mol
LogP1.19
Rot. Bonds4

About (1S)-1-[(2S,5R)-5-aminooxan-2-yl]-2-(6-fluoro-3-methoxyquinoxalin-5-yl)ethanol

(1S)-1-[(2S,5R)-5-aminooxan-2-yl]-2-(6-fluoro-3-methoxyquinoxalin-5-yl)ethanol (PubChem CID 67432163) has the molecular formula C16H20FN3O3 and a molecular weight of 321.35 g/mol. Its IUPAC name is (1S)-1-[(2S,5R)-5-aminooxan-2-yl]-2-(6-fluoro-3-methoxyquinoxalin-5-yl)ethanol.

Molecular Properties

Compound Name(1S)-1-[(2S,5R)-5-aminooxan-2-yl]-2-(6-fluoro-3-methoxyquinoxalin-5-yl)ethanol
PubChem CID67432163
Molecular FormulaC16H20FN3O3
Molecular Weight321.35 g/mol
Exact Mass321.15
IUPAC Name(1S)-1-[(2S,5R)-5-aminooxan-2-yl]-2-(6-fluoro-3-methoxyquinoxalin-5-yl)ethanol
SMILESCOc1cnc2ccc(F)c(C[C@H](O)[C@@H]3CC[C@@H](N)CO3)c2n1
InChIInChI=1S/C16H20FN3O3/c1-22-15-7-19-12-4-3-11(17)10(16(12)20-15)6-13(21)14-5-2-9(18)8-23-14/h3-4,7,9,13-14,21H,2,5-6,8,18H2,1H3/t9-,13+,14+/m1/s1
InChIKeyBZEBHFTZFJEQCF-IIMNLJJBSA-N
XLogP1.19
TPSA90.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.35
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[(2S,5R)-5-aminooxan-2-yl]-2-(6-fluoro-3-methoxyquinoxalin-5-yl)ethanol?
The IUPAC name of (1S)-1-[(2S,5R)-5-aminooxan-2-yl]-2-(6-fluoro-3-methoxyquinoxalin-5-yl)ethanol (CID 67432163) is (1S)-1-[(2S,5R)-5-aminooxan-2-yl]-2-(6-fluoro-3-methoxyquinoxalin-5-yl)ethanol.
What is the SMILES notation for (1S)-1-[(2S,5R)-5-aminooxan-2-yl]-2-(6-fluoro-3-methoxyquinoxalin-5-yl)ethanol?
The canonical SMILES for (1S)-1-[(2S,5R)-5-aminooxan-2-yl]-2-(6-fluoro-3-methoxyquinoxalin-5-yl)ethanol is COc1cnc2ccc(F)c(C[C@H](O)[C@@H]3CC[C@@H](N)CO3)c2n1.
What is the InChIKey of (1S)-1-[(2S,5R)-5-aminooxan-2-yl]-2-(6-fluoro-3-methoxyquinoxalin-5-yl)ethanol?
The InChIKey is BZEBHFTZFJEQCF-IIMNLJJBSA-N. The full InChI is InChI=1S/C16H20FN3O3/c1-22-15-7-19-12-4-3-11(17)10(16(12)20-15)6-13(21)14-5-2-9(18)8-23-14/h3-4,7,9,13-14,21H,2,5-6,8,18H2,1H3/t9-,13+,14+/m1/s1.
What are the key properties of (1S)-1-[(2S,5R)-5-aminooxan-2-yl]-2-(6-fluoro-3-methoxyquinoxalin-5-yl)ethanol?
(1S)-1-[(2S,5R)-5-aminooxan-2-yl]-2-(6-fluoro-3-methoxyquinoxalin-5-yl)ethanol has a molecular weight of 321.35 g/mol, XLogP of 1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[(2S,5R)-5-aminooxan-2-yl]-2-(6-fluoro-3-methoxyquinoxalin-5-yl)ethanol is sourced from PubChem (CID 67432163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).