2-(2-fluorophenyl)-1-(4-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone

C18H18FNO2 — CID 110709515

IUPAC2-(2-fluorophenyl)-1-(4-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone
SMILESCOC1CCN(C(=O)Cc2ccccc2F)c2ccccc21
InChIInChI=1S/C18H18FNO2/c1-22-17-10-11-20(16-9-5-3-7-14(16)17)18(21)12-13-6-2-4-8-15(13)19/h2-9,17H,10-12H2,1H3
InChIKeyMBVSBYNITXHPOR-UHFFFAOYSA-N
MW299.34 g/mol
LogP3.49
Rot. Bonds3

About 2-(2-fluorophenyl)-1-(4-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone

2-(2-fluorophenyl)-1-(4-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone (PubChem CID 110709515) has the molecular formula C18H18FNO2 and a molecular weight of 299.34 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-1-(4-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone.

Molecular Properties

Compound Name2-(2-fluorophenyl)-1-(4-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone
PubChem CID110709515
Molecular FormulaC18H18FNO2
Molecular Weight299.34 g/mol
Exact Mass299.13
IUPAC Name2-(2-fluorophenyl)-1-(4-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone
SMILESCOC1CCN(C(=O)Cc2ccccc2F)c2ccccc21
InChIInChI=1S/C18H18FNO2/c1-22-17-10-11-20(16-9-5-3-7-14(16)17)18(21)12-13-6-2-4-8-15(13)19/h2-9,17H,10-12H2,1H3
InChIKeyMBVSBYNITXHPOR-UHFFFAOYSA-N
XLogP3.49
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.34
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-1-(4-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone?
The IUPAC name of 2-(2-fluorophenyl)-1-(4-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone (CID 110709515) is 2-(2-fluorophenyl)-1-(4-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone.
What is the SMILES notation for 2-(2-fluorophenyl)-1-(4-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone?
The canonical SMILES for 2-(2-fluorophenyl)-1-(4-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone is COC1CCN(C(=O)Cc2ccccc2F)c2ccccc21.
What is the InChIKey of 2-(2-fluorophenyl)-1-(4-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone?
The InChIKey is MBVSBYNITXHPOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO2/c1-22-17-10-11-20(16-9-5-3-7-14(16)17)18(21)12-13-6-2-4-8-15(13)19/h2-9,17H,10-12H2,1H3.
What are the key properties of 2-(2-fluorophenyl)-1-(4-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone?
2-(2-fluorophenyl)-1-(4-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone has a molecular weight of 299.34 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-1-(4-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone is sourced from PubChem (CID 110709515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).