[(2S)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-[6-(oxan-4-yloxy)-3-pyridinyl]methanone

C21H23FN2O3 — CID 124759105

IUPAC[(2S)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-[6-(oxan-4-yloxy)-3-pyridinyl]methanone
SMILESC[C@H]1CCc2cc(F)ccc2N1C(=O)c1ccc(OC2CCOCC2)nc1
InChIInChI=1S/C21H23FN2O3/c1-14-2-3-15-12-17(22)5-6-19(15)24(14)21(25)16-4-7-20(23-13-16)27-18-8-10-26-11-9-18/h4-7,12-14,18H,2-3,8-11H2,1H3/t14-/m0/s1
InChIKeyAWRRSWVHXQVBIF-AWEZNQCLSA-N
MW370.42 g/mol
LogP3.76
Rot. Bonds3

About [(2S)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-[6-(oxan-4-yloxy)-3-pyridinyl]methanone

[(2S)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-[6-(oxan-4-yloxy)-3-pyridinyl]methanone (PubChem CID 124759105) has the molecular formula C21H23FN2O3 and a molecular weight of 370.42 g/mol. Its IUPAC name is [(2S)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-[6-(oxan-4-yloxy)-3-pyridinyl]methanone.

Molecular Properties

Compound Name[(2S)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-[6-(oxan-4-yloxy)-3-pyridinyl]methanone
PubChem CID124759105
Molecular FormulaC21H23FN2O3
Molecular Weight370.42 g/mol
Exact Mass370.17
IUPAC Name[(2S)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-[6-(oxan-4-yloxy)-3-pyridinyl]methanone
SMILESC[C@H]1CCc2cc(F)ccc2N1C(=O)c1ccc(OC2CCOCC2)nc1
InChIInChI=1S/C21H23FN2O3/c1-14-2-3-15-12-17(22)5-6-19(15)24(14)21(25)16-4-7-20(23-13-16)27-18-8-10-26-11-9-18/h4-7,12-14,18H,2-3,8-11H2,1H3/t14-/m0/s1
InChIKeyAWRRSWVHXQVBIF-AWEZNQCLSA-N
XLogP3.76
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(2S)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-[6-(oxan-4-yloxy)-3-pyridinyl]methanone with MolForge

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Related Compounds

(3,4-dichlorophenyl)-[(2S)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 873798
[3-(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 4200957
(3,5-dimethoxyphenyl)-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 646590
(4-chloro-3-nitrophenyl)-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 2933461
[(2R)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(4-methoxy-3-nitrophenyl)methanone
CID 1245939
3-(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)pyrazine-2-carboxylic acid
CID 19154792
(2,6-dimethoxyphenyl)-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 19685239
(2,3-diphenylquinoxalin-6-yl)-[(2R)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 27307310
[(2R)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(2-methylfuran-3-yl)methanone
CID 896559
(2,5-dichlorophenyl)-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 4181075
methyl 1-[6-(oxan-4-yloxy)pyridine-3-carbonyl]piperidine-2-carboxylate
CID 91815364
3-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropanenitrile
CID 4107945

Frequently Asked Questions

What is the IUPAC name of [(2S)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-[6-(oxan-4-yloxy)-3-pyridinyl]methanone?
The IUPAC name of [(2S)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-[6-(oxan-4-yloxy)-3-pyridinyl]methanone (CID 124759105) is [(2S)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-[6-(oxan-4-yloxy)-3-pyridinyl]methanone.
What is the SMILES notation for [(2S)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-[6-(oxan-4-yloxy)-3-pyridinyl]methanone?
The canonical SMILES for [(2S)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-[6-(oxan-4-yloxy)-3-pyridinyl]methanone is C[C@H]1CCc2cc(F)ccc2N1C(=O)c1ccc(OC2CCOCC2)nc1.
What is the InChIKey of [(2S)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-[6-(oxan-4-yloxy)-3-pyridinyl]methanone?
The InChIKey is AWRRSWVHXQVBIF-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H23FN2O3/c1-14-2-3-15-12-17(22)5-6-19(15)24(14)21(25)16-4-7-20(23-13-16)27-18-8-10-26-11-9-18/h4-7,12-14,18H,2-3,8-11H2,1H3/t14-/m0/s1.
What are the key properties of [(2S)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-[6-(oxan-4-yloxy)-3-pyridinyl]methanone?
[(2S)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-[6-(oxan-4-yloxy)-3-pyridinyl]methanone has a molecular weight of 370.42 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-[6-(oxan-4-yloxy)-3-pyridinyl]methanone is sourced from PubChem (CID 124759105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).