(E)-1-(3,4-dihydro-2H-quinolin-1-yl)-3-phenylprop-2-en-1-one

C18H17NO — CID 728718

IUPAC(E)-1-(3,4-dihydro-2H-quinolin-1-yl)-3-phenylprop-2-en-1-one
SMILESO=C(/C=C/c1ccccc1)N1CCCc2ccccc21
InChIInChI=1S/C18H17NO/c20-18(13-12-15-7-2-1-3-8-15)19-14-6-10-16-9-4-5-11-17(16)19/h1-5,7-9,11-13H,6,10,14H2/b13-12+
InChIKeySFOVHKYYGVAXCU-OUKQBFOZSA-N
MW263.34 g/mol
LogP3.68
Rot. Bonds2

About (E)-1-(3,4-dihydro-2H-quinolin-1-yl)-3-phenylprop-2-en-1-one

(E)-1-(3,4-dihydro-2H-quinolin-1-yl)-3-phenylprop-2-en-1-one (PubChem CID 728718) has the molecular formula C18H17NO and a molecular weight of 263.34 g/mol. Its IUPAC name is (E)-1-(3,4-dihydro-2H-quinolin-1-yl)-3-phenylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(3,4-dihydro-2H-quinolin-1-yl)-3-phenylprop-2-en-1-one
PubChem CID728718
Molecular FormulaC18H17NO
Molecular Weight263.34 g/mol
Exact Mass263.13
IUPAC Name(E)-1-(3,4-dihydro-2H-quinolin-1-yl)-3-phenylprop-2-en-1-one
SMILESO=C(/C=C/c1ccccc1)N1CCCc2ccccc21
InChIInChI=1S/C18H17NO/c20-18(13-12-15-7-2-1-3-8-15)19-14-6-10-16-9-4-5-11-17(16)19/h1-5,7-9,11-13H,6,10,14H2/b13-12+
InChIKeySFOVHKYYGVAXCU-OUKQBFOZSA-N
XLogP3.68
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-1-(3,4-dihydro-2H-quinolin-1-yl)-3-phenylprop-2-en-1-one?
The IUPAC name of (E)-1-(3,4-dihydro-2H-quinolin-1-yl)-3-phenylprop-2-en-1-one (CID 728718) is (E)-1-(3,4-dihydro-2H-quinolin-1-yl)-3-phenylprop-2-en-1-one.
What is the SMILES notation for (E)-1-(3,4-dihydro-2H-quinolin-1-yl)-3-phenylprop-2-en-1-one?
The canonical SMILES for (E)-1-(3,4-dihydro-2H-quinolin-1-yl)-3-phenylprop-2-en-1-one is O=C(/C=C/c1ccccc1)N1CCCc2ccccc21.
What is the InChIKey of (E)-1-(3,4-dihydro-2H-quinolin-1-yl)-3-phenylprop-2-en-1-one?
The InChIKey is SFOVHKYYGVAXCU-OUKQBFOZSA-N. The full InChI is InChI=1S/C18H17NO/c20-18(13-12-15-7-2-1-3-8-15)19-14-6-10-16-9-4-5-11-17(16)19/h1-5,7-9,11-13H,6,10,14H2/b13-12+.
What are the key properties of (E)-1-(3,4-dihydro-2H-quinolin-1-yl)-3-phenylprop-2-en-1-one?
(E)-1-(3,4-dihydro-2H-quinolin-1-yl)-3-phenylprop-2-en-1-one has a molecular weight of 263.34 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(3,4-dihydro-2H-quinolin-1-yl)-3-phenylprop-2-en-1-one is sourced from PubChem (CID 728718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).