(1S)-1-[(2S,5R)-5-aminooxan-2-yl]-2-(7-fluoro-2-methoxyquinolin-8-yl)ethanol

C17H21FN2O3 — CID 67432307

IUPAC(1S)-1-[(2S,5R)-5-aminooxan-2-yl]-2-(7-fluoro-2-methoxyquinolin-8-yl)ethanol
SMILESCOc1ccc2ccc(F)c(C[C@H](O)[C@@H]3CC[C@@H](N)CO3)c2n1
InChIInChI=1S/C17H21FN2O3/c1-22-16-7-3-10-2-5-13(18)12(17(10)20-16)8-14(21)15-6-4-11(19)9-23-15/h2-3,5,7,11,14-15,21H,4,6,8-9,19H2,1H3/t11-,14+,15+/m1/s1
InChIKeyFBRMCQFVVAIMRX-UGFHNGPFSA-N
MW320.36 g/mol
LogP1.79
Rot. Bonds4

About (1S)-1-[(2S,5R)-5-aminooxan-2-yl]-2-(7-fluoro-2-methoxyquinolin-8-yl)ethanol

(1S)-1-[(2S,5R)-5-aminooxan-2-yl]-2-(7-fluoro-2-methoxyquinolin-8-yl)ethanol (PubChem CID 67432307) has the molecular formula C17H21FN2O3 and a molecular weight of 320.36 g/mol. Its IUPAC name is (1S)-1-[(2S,5R)-5-aminooxan-2-yl]-2-(7-fluoro-2-methoxyquinolin-8-yl)ethanol.

Molecular Properties

Compound Name(1S)-1-[(2S,5R)-5-aminooxan-2-yl]-2-(7-fluoro-2-methoxyquinolin-8-yl)ethanol
PubChem CID67432307
Molecular FormulaC17H21FN2O3
Molecular Weight320.36 g/mol
Exact Mass320.15
IUPAC Name(1S)-1-[(2S,5R)-5-aminooxan-2-yl]-2-(7-fluoro-2-methoxyquinolin-8-yl)ethanol
SMILESCOc1ccc2ccc(F)c(C[C@H](O)[C@@H]3CC[C@@H](N)CO3)c2n1
InChIInChI=1S/C17H21FN2O3/c1-22-16-7-3-10-2-5-13(18)12(17(10)20-16)8-14(21)15-6-4-11(19)9-23-15/h2-3,5,7,11,14-15,21H,4,6,8-9,19H2,1H3/t11-,14+,15+/m1/s1
InChIKeyFBRMCQFVVAIMRX-UGFHNGPFSA-N
XLogP1.79
TPSA77.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (1S)-1-[(2S,5R)-5-aminooxan-2-yl]-2-(7-fluoro-2-methoxyquinolin-8-yl)ethanol with MolForge

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Launch Full Analysis

Related Compounds

7-fluoro-2-methoxy-8-[2-(oxiran-2-yl)ethyl]quinoline
CID 86640611
ethyl (2S)-3-(7-fluoro-2-methoxyquinolin-8-yl)-2-hydroxypropanoate
CID 68631923
ethyl (2S)-2-bromo-3-(7-fluoro-2-methoxyquinolin-8-yl)propanoate
CID 87522904
6-[[[(3S,6R)-6-[(1R)-1-amino-2-(7-fluoro-2-methoxyquinolin-8-yl)ethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 67772853
tert-butyl N-[1-[(2S,5R)-5-aminooxan-2-yl]-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]carbamate
CID 68515944
tert-butyl N-[(1S)-1-(5-aminooxan-2-yl)-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]carbamate
CID 123557572
tert-butyl N-[(1S)-1-[(2S,5R)-5-aminooxan-2-yl]-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]carbamate
CID 67378331
2-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-1,3-dioxan-5-amine
CID 146503167
1-[(2S,5R)-5-aminooxan-2-yl]-2-(6-methoxy-1,5-naphthyridin-4-yl)ethanone
CID 141309721
benzyl N-[6-[1-hydroxy-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]oxan-3-yl]carbamate
CID 77275542
7-fluoro-2-methoxy-8-methylquinoline
CID 67547364
(1S)-2,2-dideuterio-1-[(2S,5R)-5-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)oxan-2-yl]-2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethanol
CID 88545619

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[(2S,5R)-5-aminooxan-2-yl]-2-(7-fluoro-2-methoxyquinolin-8-yl)ethanol?
The IUPAC name of (1S)-1-[(2S,5R)-5-aminooxan-2-yl]-2-(7-fluoro-2-methoxyquinolin-8-yl)ethanol (CID 67432307) is (1S)-1-[(2S,5R)-5-aminooxan-2-yl]-2-(7-fluoro-2-methoxyquinolin-8-yl)ethanol.
What is the SMILES notation for (1S)-1-[(2S,5R)-5-aminooxan-2-yl]-2-(7-fluoro-2-methoxyquinolin-8-yl)ethanol?
The canonical SMILES for (1S)-1-[(2S,5R)-5-aminooxan-2-yl]-2-(7-fluoro-2-methoxyquinolin-8-yl)ethanol is COc1ccc2ccc(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-(7-fluoro-2-methoxyquinolin-8-yl)ethanol?
The InChIKey is FBRMCQFVVAIMRX-UGFHNGPFSA-N. The full InChI is InChI=1S/C17H21FN2O3/c1-22-16-7-3-10-2-5-13(18)12(17(10)20-16)8-14(21)15-6-4-11(19)9-23-15/h2-3,5,7,11,14-15,21H,4,6,8-9,19H2,1H3/t11-,14+,15+/m1/s1.
What are the key properties of (1S)-1-[(2S,5R)-5-aminooxan-2-yl]-2-(7-fluoro-2-methoxyquinolin-8-yl)ethanol?
(1S)-1-[(2S,5R)-5-aminooxan-2-yl]-2-(7-fluoro-2-methoxyquinolin-8-yl)ethanol has a molecular weight of 320.36 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[(2S,5R)-5-aminooxan-2-yl]-2-(7-fluoro-2-methoxyquinolin-8-yl)ethanol is sourced from PubChem (CID 67432307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).