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

C19H19NO2 — CID 898165

IUPAC(E)-1-(3,4-dihydro-2H-quinolin-1-yl)-3-(4-methoxyphenyl)prop-2-en-1-one
SMILESCOc1ccc(/C=C/C(=O)N2CCCc3ccccc32)cc1
InChIInChI=1S/C19H19NO2/c1-22-17-11-8-15(9-12-17)10-13-19(21)20-14-4-6-16-5-2-3-7-18(16)20/h2-3,5,7-13H,4,6,14H2,1H3/b13-10+
InChIKeyADQXDHGIQDUODD-JLHYYAGUSA-N
MW293.37 g/mol
LogP3.69
Rot. Bonds3

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

(E)-1-(3,4-dihydro-2H-quinolin-1-yl)-3-(4-methoxyphenyl)prop-2-en-1-one (PubChem CID 898165) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is (E)-1-(3,4-dihydro-2H-quinolin-1-yl)-3-(4-methoxyphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(3,4-dihydro-2H-quinolin-1-yl)-3-(4-methoxyphenyl)prop-2-en-1-one
PubChem CID898165
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC Name(E)-1-(3,4-dihydro-2H-quinolin-1-yl)-3-(4-methoxyphenyl)prop-2-en-1-one
SMILESCOc1ccc(/C=C/C(=O)N2CCCc3ccccc32)cc1
InChIInChI=1S/C19H19NO2/c1-22-17-11-8-15(9-12-17)10-13-19(21)20-14-4-6-16-5-2-3-7-18(16)20/h2-3,5,7-13H,4,6,14H2,1H3/b13-10+
InChIKeyADQXDHGIQDUODD-JLHYYAGUSA-N
XLogP3.69
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(4-methoxyphenyl)prop-2-en-1-one?
The IUPAC name of (E)-1-(3,4-dihydro-2H-quinolin-1-yl)-3-(4-methoxyphenyl)prop-2-en-1-one (CID 898165) is (E)-1-(3,4-dihydro-2H-quinolin-1-yl)-3-(4-methoxyphenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-1-(3,4-dihydro-2H-quinolin-1-yl)-3-(4-methoxyphenyl)prop-2-en-1-one?
The canonical SMILES for (E)-1-(3,4-dihydro-2H-quinolin-1-yl)-3-(4-methoxyphenyl)prop-2-en-1-one is COc1ccc(/C=C/C(=O)N2CCCc3ccccc32)cc1.
What is the InChIKey of (E)-1-(3,4-dihydro-2H-quinolin-1-yl)-3-(4-methoxyphenyl)prop-2-en-1-one?
The InChIKey is ADQXDHGIQDUODD-JLHYYAGUSA-N. The full InChI is InChI=1S/C19H19NO2/c1-22-17-11-8-15(9-12-17)10-13-19(21)20-14-4-6-16-5-2-3-7-18(16)20/h2-3,5,7-13H,4,6,14H2,1H3/b13-10+.
What are the key properties of (E)-1-(3,4-dihydro-2H-quinolin-1-yl)-3-(4-methoxyphenyl)prop-2-en-1-one?
(E)-1-(3,4-dihydro-2H-quinolin-1-yl)-3-(4-methoxyphenyl)prop-2-en-1-one has a molecular weight of 293.37 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(3,4-dihydro-2H-quinolin-1-yl)-3-(4-methoxyphenyl)prop-2-en-1-one is sourced from PubChem (CID 898165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).