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

C16H15NO3 — CID 76987242

IUPAC3-(furan-2-yl)-1-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)prop-2-en-1-one
SMILESO=C(C=Cc1ccco1)N1CCCc2cccc(O)c21
InChIInChI=1S/C16H15NO3/c18-14-7-1-4-12-5-2-10-17(16(12)14)15(19)9-8-13-6-3-11-20-13/h1,3-4,6-9,11,18H,2,5,10H2
InChIKeyZEGXEHBMIGCXQT-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.98
Rot. Bonds2

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

3-(furan-2-yl)-1-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)prop-2-en-1-one (PubChem CID 76987242) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is 3-(furan-2-yl)-1-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)prop-2-en-1-one.

Molecular Properties

Compound Name3-(furan-2-yl)-1-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)prop-2-en-1-one
PubChem CID76987242
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Name3-(furan-2-yl)-1-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)prop-2-en-1-one
SMILESO=C(C=Cc1ccco1)N1CCCc2cccc(O)c21
InChIInChI=1S/C16H15NO3/c18-14-7-1-4-12-5-2-10-17(16(12)14)15(19)9-8-13-6-3-11-20-13/h1,3-4,6-9,11,18H,2,5,10H2
InChIKeyZEGXEHBMIGCXQT-UHFFFAOYSA-N
XLogP2.98
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-3-(furan-2-yl)prop-2-en-1-one
CID 76857507
(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
1-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)but-2-yn-1-one
CID 106741641
(E)-3-(furan-2-yl)-1-(2-methylidene-1,3-thiazolidin-3-yl)prop-2-en-1-one
CID 11310590
1-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2-methylsulfonylpropan-1-one
CID 115970115
(E)-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide
CID 53125865
(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-phenylmethanone
CID 15267724
3-(furan-2-yl)-1-(2-phenylimino-1,3-thiazinan-3-yl)prop-2-en-1-one
CID 3383732
(E)-3-(furan-2-yl)-1-(6-nitro-2,3-dihydroindol-1-yl)prop-2-en-1-one
CID 37163716

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-1-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)prop-2-en-1-one?
The IUPAC name of 3-(furan-2-yl)-1-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)prop-2-en-1-one (CID 76987242) is 3-(furan-2-yl)-1-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)prop-2-en-1-one.
What is the SMILES notation for 3-(furan-2-yl)-1-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)prop-2-en-1-one?
The canonical SMILES for 3-(furan-2-yl)-1-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)prop-2-en-1-one is O=C(C=Cc1ccco1)N1CCCc2cccc(O)c21.
What is the InChIKey of 3-(furan-2-yl)-1-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)prop-2-en-1-one?
The InChIKey is ZEGXEHBMIGCXQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3/c18-14-7-1-4-12-5-2-10-17(16(12)14)15(19)9-8-13-6-3-11-20-13/h1,3-4,6-9,11,18H,2,5,10H2.
What are the key properties of 3-(furan-2-yl)-1-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)prop-2-en-1-one?
3-(furan-2-yl)-1-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)prop-2-en-1-one has a molecular weight of 269.30 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-1-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)prop-2-en-1-one is sourced from PubChem (CID 76987242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).