1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]ethanone

C21H18F2N2O2 — CID 16878806

IUPAC1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]ethanone
SMILESCC1CCc2cc(F)ccc2N1C(=O)Cc1cc(-c2ccc(F)cc2)on1
InChIInChI=1S/C21H18F2N2O2/c1-13-2-3-15-10-17(23)8-9-19(15)25(13)21(26)12-18-11-20(27-24-18)14-4-6-16(22)7-5-14/h4-11,13H,2-3,12H2,1H3
InChIKeyKCJCKNPSVDLQJT-UHFFFAOYSA-N
MW368.38 g/mol
LogP4.53
Rot. Bonds3

About 1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]ethanone

1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]ethanone (PubChem CID 16878806) has the molecular formula C21H18F2N2O2 and a molecular weight of 368.38 g/mol. Its IUPAC name is 1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]ethanone.

Molecular Properties

Compound Name1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]ethanone
PubChem CID16878806
Molecular FormulaC21H18F2N2O2
Molecular Weight368.38 g/mol
Exact Mass368.13
IUPAC Name1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]ethanone
SMILESCC1CCc2cc(F)ccc2N1C(=O)Cc1cc(-c2ccc(F)cc2)on1
InChIInChI=1S/C21H18F2N2O2/c1-13-2-3-15-10-17(23)8-9-19(15)25(13)21(26)12-18-11-20(27-24-18)14-4-6-16(22)7-5-14/h4-11,13H,2-3,12H2,1H3
InChIKeyKCJCKNPSVDLQJT-UHFFFAOYSA-N
XLogP4.53
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.38
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]ethanone?
The IUPAC name of 1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]ethanone (CID 16878806) is 1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]ethanone.
What is the SMILES notation for 1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]ethanone?
The canonical SMILES for 1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]ethanone is CC1CCc2cc(F)ccc2N1C(=O)Cc1cc(-c2ccc(F)cc2)on1.
What is the InChIKey of 1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]ethanone?
The InChIKey is KCJCKNPSVDLQJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2N2O2/c1-13-2-3-15-10-17(23)8-9-19(15)25(13)21(26)12-18-11-20(27-24-18)14-4-6-16(22)7-5-14/h4-11,13H,2-3,12H2,1H3.
What are the key properties of 1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]ethanone?
1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]ethanone has a molecular weight of 368.38 g/mol, XLogP of 4.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]ethanone is sourced from PubChem (CID 16878806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).