1-(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-3-(furan-2-yl)prop-2-en-1-one

C16H14FNO2 — CID 76857507

IUPAC1-(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-3-(furan-2-yl)prop-2-en-1-one
SMILESO=C(C=Cc1ccco1)N1CCCc2cccc(F)c21
InChIInChI=1S/C16H14FNO2/c17-14-7-1-4-12-5-2-10-18(16(12)14)15(19)9-8-13-6-3-11-20-13/h1,3-4,6-9,11H,2,5,10H2
InChIKeyMGYAFDKYUIUAQF-UHFFFAOYSA-N
MW271.29 g/mol
LogP3.41
Rot. Bonds2

About 1-(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-3-(furan-2-yl)prop-2-en-1-one

1-(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-3-(furan-2-yl)prop-2-en-1-one (PubChem CID 76857507) has the molecular formula C16H14FNO2 and a molecular weight of 271.29 g/mol. Its IUPAC name is 1-(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-3-(furan-2-yl)prop-2-en-1-one.

Molecular Properties

Compound Name1-(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-3-(furan-2-yl)prop-2-en-1-one
PubChem CID76857507
Molecular FormulaC16H14FNO2
Molecular Weight271.29 g/mol
Exact Mass271.10
IUPAC Name1-(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-3-(furan-2-yl)prop-2-en-1-one
SMILESO=C(C=Cc1ccco1)N1CCCc2cccc(F)c21
InChIInChI=1S/C16H14FNO2/c17-14-7-1-4-12-5-2-10-18(16(12)14)15(19)9-8-13-6-3-11-20-13/h1,3-4,6-9,11H,2,5,10H2
InChIKeyMGYAFDKYUIUAQF-UHFFFAOYSA-N
XLogP3.41
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.29
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 1-(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-3-(furan-2-yl)prop-2-en-1-one with MolForge

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Related Compounds

3-(furan-2-yl)-1-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)prop-2-en-1-one
CID 76987242
(E)-1-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-3-(furan-2-yl)prop-2-en-1-one
CID 24653451
3-[(E)-3-(furan-2-yl)prop-2-enoyl]-1,3-oxazolidin-2-one
CID 139256760
(Z)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(furan-2-yl)prop-2-en-1-one
CID 2166410
3-(furan-2-yl)-1-(4-methylpiperazin-1-yl)prop-2-en-1-one
CID 963828
(E)-3-(furan-2-yl)-1-(2-methylidene-1,3-thiazolidin-3-yl)prop-2-en-1-one
CID 11310590
(E)-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide
CID 53125865
3-(furan-2-yl)-1-(2-phenylimino-1,3-thiazinan-3-yl)prop-2-en-1-one
CID 3383732
(E)-1-[4-(3-fluorobenzoyl)piperazin-1-yl]-3-(furan-2-yl)prop-2-en-1-one
CID 33014305
(E)-3-(furan-2-yl)-1-(6-nitro-2,3-dihydroindol-1-yl)prop-2-en-1-one
CID 37163716
3-(furan-2-yl)-1-[4-(2,3,4-trifluorophenyl)sulfonylpiperazin-1-yl]prop-2-en-1-one
CID 4780868
(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(6-methyl-2-pyridinyl)methanone
CID 134002037

Frequently Asked Questions

What is the IUPAC name of 1-(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-3-(furan-2-yl)prop-2-en-1-one?
The IUPAC name of 1-(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-3-(furan-2-yl)prop-2-en-1-one (CID 76857507) is 1-(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-3-(furan-2-yl)prop-2-en-1-one.
What is the SMILES notation for 1-(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-3-(furan-2-yl)prop-2-en-1-one?
The canonical SMILES for 1-(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-3-(furan-2-yl)prop-2-en-1-one is O=C(C=Cc1ccco1)N1CCCc2cccc(F)c21.
What is the InChIKey of 1-(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-3-(furan-2-yl)prop-2-en-1-one?
The InChIKey is MGYAFDKYUIUAQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO2/c17-14-7-1-4-12-5-2-10-18(16(12)14)15(19)9-8-13-6-3-11-20-13/h1,3-4,6-9,11H,2,5,10H2.
What are the key properties of 1-(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-3-(furan-2-yl)prop-2-en-1-one?
1-(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-3-(furan-2-yl)prop-2-en-1-one has a molecular weight of 271.29 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-3-(furan-2-yl)prop-2-en-1-one is sourced from PubChem (CID 76857507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).