1-[(2S,3R)-2-fluoro-3-methyl-6-morpholin-4-yl-3,4-dihydro-2H-quinolin-1-yl]ethanone

C16H21FN2O2 — CID 139326106

IUPAC1-[(2S,3R)-2-fluoro-3-methyl-6-morpholin-4-yl-3,4-dihydro-2H-quinolin-1-yl]ethanone
SMILESCC(=O)N1c2ccc(N3CCOCC3)cc2C[C@@H](C)[C@@H]1F
InChIInChI=1S/C16H21FN2O2/c1-11-9-13-10-14(18-5-7-21-8-6-18)3-4-15(13)19(12(2)20)16(11)17/h3-4,10-11,16H,5-9H2,1-2H3/t11-,16-/m1/s1
InChIKeyASYGUIFKICKZFA-BDJLRTHQSA-N
MW292.35 g/mol
LogP2.36
Rot. Bonds1

About 1-[(2S,3R)-2-fluoro-3-methyl-6-morpholin-4-yl-3,4-dihydro-2H-quinolin-1-yl]ethanone

1-[(2S,3R)-2-fluoro-3-methyl-6-morpholin-4-yl-3,4-dihydro-2H-quinolin-1-yl]ethanone (PubChem CID 139326106) has the molecular formula C16H21FN2O2 and a molecular weight of 292.35 g/mol. Its IUPAC name is 1-[(2S,3R)-2-fluoro-3-methyl-6-morpholin-4-yl-3,4-dihydro-2H-quinolin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2S,3R)-2-fluoro-3-methyl-6-morpholin-4-yl-3,4-dihydro-2H-quinolin-1-yl]ethanone
PubChem CID139326106
Molecular FormulaC16H21FN2O2
Molecular Weight292.35 g/mol
Exact Mass292.16
IUPAC Name1-[(2S,3R)-2-fluoro-3-methyl-6-morpholin-4-yl-3,4-dihydro-2H-quinolin-1-yl]ethanone
SMILESCC(=O)N1c2ccc(N3CCOCC3)cc2C[C@@H](C)[C@@H]1F
InChIInChI=1S/C16H21FN2O2/c1-11-9-13-10-14(18-5-7-21-8-6-18)3-4-15(13)19(12(2)20)16(11)17/h3-4,10-11,16H,5-9H2,1-2H3/t11-,16-/m1/s1
InChIKeyASYGUIFKICKZFA-BDJLRTHQSA-N
XLogP2.36
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S,3R)-2-fluoro-3-methyl-6-morpholin-4-yl-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The IUPAC name of 1-[(2S,3R)-2-fluoro-3-methyl-6-morpholin-4-yl-3,4-dihydro-2H-quinolin-1-yl]ethanone (CID 139326106) is 1-[(2S,3R)-2-fluoro-3-methyl-6-morpholin-4-yl-3,4-dihydro-2H-quinolin-1-yl]ethanone.
What is the SMILES notation for 1-[(2S,3R)-2-fluoro-3-methyl-6-morpholin-4-yl-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The canonical SMILES for 1-[(2S,3R)-2-fluoro-3-methyl-6-morpholin-4-yl-3,4-dihydro-2H-quinolin-1-yl]ethanone is CC(=O)N1c2ccc(N3CCOCC3)cc2C[C@@H](C)[C@@H]1F.
What is the InChIKey of 1-[(2S,3R)-2-fluoro-3-methyl-6-morpholin-4-yl-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The InChIKey is ASYGUIFKICKZFA-BDJLRTHQSA-N. The full InChI is InChI=1S/C16H21FN2O2/c1-11-9-13-10-14(18-5-7-21-8-6-18)3-4-15(13)19(12(2)20)16(11)17/h3-4,10-11,16H,5-9H2,1-2H3/t11-,16-/m1/s1.
What are the key properties of 1-[(2S,3R)-2-fluoro-3-methyl-6-morpholin-4-yl-3,4-dihydro-2H-quinolin-1-yl]ethanone?
1-[(2S,3R)-2-fluoro-3-methyl-6-morpholin-4-yl-3,4-dihydro-2H-quinolin-1-yl]ethanone has a molecular weight of 292.35 g/mol, XLogP of 2.36, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,3R)-2-fluoro-3-methyl-6-morpholin-4-yl-3,4-dihydro-2H-quinolin-1-yl]ethanone is sourced from PubChem (CID 139326106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).