(E)-1-(3,4-dihydro-2H-quinolin-1-yl)-3-(5-methylfuran-2-yl)prop-2-en-1-one

C17H17NO2 — CID 712985

IUPAC(E)-1-(3,4-dihydro-2H-quinolin-1-yl)-3-(5-methylfuran-2-yl)prop-2-en-1-one
SMILESCc1ccc(/C=C/C(=O)N2CCCc3ccccc32)o1
InChIInChI=1S/C17H17NO2/c1-13-8-9-15(20-13)10-11-17(19)18-12-4-6-14-5-2-3-7-16(14)18/h2-3,5,7-11H,4,6,12H2,1H3/b11-10+
InChIKeyLASQNFCJWSWFMF-ZHACJKMWSA-N
MW267.33 g/mol
LogP3.58
Rot. Bonds2

About (E)-1-(3,4-dihydro-2H-quinolin-1-yl)-3-(5-methylfuran-2-yl)prop-2-en-1-one

(E)-1-(3,4-dihydro-2H-quinolin-1-yl)-3-(5-methylfuran-2-yl)prop-2-en-1-one (PubChem CID 712985) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is (E)-1-(3,4-dihydro-2H-quinolin-1-yl)-3-(5-methylfuran-2-yl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(3,4-dihydro-2H-quinolin-1-yl)-3-(5-methylfuran-2-yl)prop-2-en-1-one
PubChem CID712985
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name(E)-1-(3,4-dihydro-2H-quinolin-1-yl)-3-(5-methylfuran-2-yl)prop-2-en-1-one
SMILESCc1ccc(/C=C/C(=O)N2CCCc3ccccc32)o1
InChIInChI=1S/C17H17NO2/c1-13-8-9-15(20-13)10-11-17(19)18-12-4-6-14-5-2-3-7-16(14)18/h2-3,5,7-11H,4,6,12H2,1H3/b11-10+
InChIKeyLASQNFCJWSWFMF-ZHACJKMWSA-N
XLogP3.58
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.58
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-(5-methylfuran-2-yl)prop-2-en-1-one?
The IUPAC name of (E)-1-(3,4-dihydro-2H-quinolin-1-yl)-3-(5-methylfuran-2-yl)prop-2-en-1-one (CID 712985) is (E)-1-(3,4-dihydro-2H-quinolin-1-yl)-3-(5-methylfuran-2-yl)prop-2-en-1-one.
What is the SMILES notation for (E)-1-(3,4-dihydro-2H-quinolin-1-yl)-3-(5-methylfuran-2-yl)prop-2-en-1-one?
The canonical SMILES for (E)-1-(3,4-dihydro-2H-quinolin-1-yl)-3-(5-methylfuran-2-yl)prop-2-en-1-one is Cc1ccc(/C=C/C(=O)N2CCCc3ccccc32)o1.
What is the InChIKey of (E)-1-(3,4-dihydro-2H-quinolin-1-yl)-3-(5-methylfuran-2-yl)prop-2-en-1-one?
The InChIKey is LASQNFCJWSWFMF-ZHACJKMWSA-N. The full InChI is InChI=1S/C17H17NO2/c1-13-8-9-15(20-13)10-11-17(19)18-12-4-6-14-5-2-3-7-16(14)18/h2-3,5,7-11H,4,6,12H2,1H3/b11-10+.
What are the key properties of (E)-1-(3,4-dihydro-2H-quinolin-1-yl)-3-(5-methylfuran-2-yl)prop-2-en-1-one?
(E)-1-(3,4-dihydro-2H-quinolin-1-yl)-3-(5-methylfuran-2-yl)prop-2-en-1-one has a molecular weight of 267.33 g/mol, XLogP of 3.58, 2 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-(5-methylfuran-2-yl)prop-2-en-1-one is sourced from PubChem (CID 712985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).