(E)-3-(furan-2-yl)-N-quinolin-8-ylprop-2-enamide

C16H12N2O2 — CID 750959

IUPAC(E)-3-(furan-2-yl)-N-quinolin-8-ylprop-2-enamide
SMILESO=C(/C=C/c1ccco1)Nc1cccc2cccnc12
InChIInChI=1S/C16H12N2O2/c19-15(9-8-13-6-3-11-20-13)18-14-7-1-4-12-5-2-10-17-16(12)14/h1-11H,(H,18,19)/b9-8+
InChIKeyLNFSSNOVBDDEOD-CMDGGOBGSA-N
MW264.28 g/mol
LogP3.48
Rot. Bonds3

About (E)-3-(furan-2-yl)-N-quinolin-8-ylprop-2-enamide

(E)-3-(furan-2-yl)-N-quinolin-8-ylprop-2-enamide (PubChem CID 750959) has the molecular formula C16H12N2O2 and a molecular weight of 264.28 g/mol. Its IUPAC name is (E)-3-(furan-2-yl)-N-quinolin-8-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(furan-2-yl)-N-quinolin-8-ylprop-2-enamide
PubChem CID750959
Molecular FormulaC16H12N2O2
Molecular Weight264.28 g/mol
Exact Mass264.09
IUPAC Name(E)-3-(furan-2-yl)-N-quinolin-8-ylprop-2-enamide
SMILESO=C(/C=C/c1ccco1)Nc1cccc2cccnc12
InChIInChI=1S/C16H12N2O2/c19-15(9-8-13-6-3-11-20-13)18-14-7-1-4-12-5-2-10-17-16(12)14/h1-11H,(H,18,19)/b9-8+
InChIKeyLNFSSNOVBDDEOD-CMDGGOBGSA-N
XLogP3.48
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 53.48
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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Frequently Asked Questions

What is the IUPAC name of (E)-3-(furan-2-yl)-N-quinolin-8-ylprop-2-enamide?
The IUPAC name of (E)-3-(furan-2-yl)-N-quinolin-8-ylprop-2-enamide (CID 750959) is (E)-3-(furan-2-yl)-N-quinolin-8-ylprop-2-enamide.
What is the SMILES notation for (E)-3-(furan-2-yl)-N-quinolin-8-ylprop-2-enamide?
The canonical SMILES for (E)-3-(furan-2-yl)-N-quinolin-8-ylprop-2-enamide is O=C(/C=C/c1ccco1)Nc1cccc2cccnc12.
What is the InChIKey of (E)-3-(furan-2-yl)-N-quinolin-8-ylprop-2-enamide?
The InChIKey is LNFSSNOVBDDEOD-CMDGGOBGSA-N. The full InChI is InChI=1S/C16H12N2O2/c19-15(9-8-13-6-3-11-20-13)18-14-7-1-4-12-5-2-10-17-16(12)14/h1-11H,(H,18,19)/b9-8+.
What are the key properties of (E)-3-(furan-2-yl)-N-quinolin-8-ylprop-2-enamide?
(E)-3-(furan-2-yl)-N-quinolin-8-ylprop-2-enamide has a molecular weight of 264.28 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(furan-2-yl)-N-quinolin-8-ylprop-2-enamide is sourced from PubChem (CID 750959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).