[(2R)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(2-methylfuran-3-yl)methanone

C16H16FNO2 — CID 896559

IUPAC[(2R)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(2-methylfuran-3-yl)methanone
SMILESCc1occc1C(=O)N1c2ccc(F)cc2CC[C@H]1C
InChIInChI=1S/C16H16FNO2/c1-10-3-4-12-9-13(17)5-6-15(12)18(10)16(19)14-7-8-20-11(14)2/h5-10H,3-4H2,1-2H3/t10-/m1/s1
InChIKeyARRZFXHOIQBLOV-SNVBAGLBSA-N
MW273.31 g/mol
LogP3.71
Rot. Bonds1

About [(2R)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(2-methylfuran-3-yl)methanone

[(2R)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(2-methylfuran-3-yl)methanone (PubChem CID 896559) has the molecular formula C16H16FNO2 and a molecular weight of 273.31 g/mol. Its IUPAC name is [(2R)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(2-methylfuran-3-yl)methanone.

Molecular Properties

Compound Name[(2R)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(2-methylfuran-3-yl)methanone
PubChem CID896559
Molecular FormulaC16H16FNO2
Molecular Weight273.31 g/mol
Exact Mass273.12
IUPAC Name[(2R)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(2-methylfuran-3-yl)methanone
SMILESCc1occc1C(=O)N1c2ccc(F)cc2CC[C@H]1C
InChIInChI=1S/C16H16FNO2/c1-10-3-4-12-9-13(17)5-6-15(12)18(10)16(19)14-7-8-20-11(14)2/h5-10H,3-4H2,1-2H3/t10-/m1/s1
InChIKeyARRZFXHOIQBLOV-SNVBAGLBSA-N
XLogP3.71
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(2R)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(2-methylfuran-3-yl)methanone?
The IUPAC name of [(2R)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(2-methylfuran-3-yl)methanone (CID 896559) is [(2R)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(2-methylfuran-3-yl)methanone.
What is the SMILES notation for [(2R)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(2-methylfuran-3-yl)methanone?
The canonical SMILES for [(2R)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(2-methylfuran-3-yl)methanone is Cc1occc1C(=O)N1c2ccc(F)cc2CC[C@H]1C.
What is the InChIKey of [(2R)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(2-methylfuran-3-yl)methanone?
The InChIKey is ARRZFXHOIQBLOV-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H16FNO2/c1-10-3-4-12-9-13(17)5-6-15(12)18(10)16(19)14-7-8-20-11(14)2/h5-10H,3-4H2,1-2H3/t10-/m1/s1.
What are the key properties of [(2R)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(2-methylfuran-3-yl)methanone?
[(2R)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(2-methylfuran-3-yl)methanone has a molecular weight of 273.31 g/mol, XLogP of 3.71, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(2-methylfuran-3-yl)methanone is sourced from PubChem (CID 896559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).