(E)-3-(1-benzofuran-2-yl)-N-quinolin-3-ylprop-2-enamide

C20H14N2O2 — CID 32840230

IUPAC(E)-3-(1-benzofuran-2-yl)-N-quinolin-3-ylprop-2-enamide
SMILESO=C(/C=C/c1cc2ccccc2o1)Nc1cnc2ccccc2c1
InChIInChI=1S/C20H14N2O2/c23-20(10-9-17-12-15-6-2-4-8-19(15)24-17)22-16-11-14-5-1-3-7-18(14)21-13-16/h1-13H,(H,22,23)/b10-9+
InChIKeyVVRCKAWZEQOOLM-MDZDMXLPSA-N
MW314.34 g/mol
LogP4.63
Rot. Bonds3

About (E)-3-(1-benzofuran-2-yl)-N-quinolin-3-ylprop-2-enamide

(E)-3-(1-benzofuran-2-yl)-N-quinolin-3-ylprop-2-enamide (PubChem CID 32840230) has the molecular formula C20H14N2O2 and a molecular weight of 314.34 g/mol. Its IUPAC name is (E)-3-(1-benzofuran-2-yl)-N-quinolin-3-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(1-benzofuran-2-yl)-N-quinolin-3-ylprop-2-enamide
PubChem CID32840230
Molecular FormulaC20H14N2O2
Molecular Weight314.34 g/mol
Exact Mass314.11
IUPAC Name(E)-3-(1-benzofuran-2-yl)-N-quinolin-3-ylprop-2-enamide
SMILESO=C(/C=C/c1cc2ccccc2o1)Nc1cnc2ccccc2c1
InChIInChI=1S/C20H14N2O2/c23-20(10-9-17-12-15-6-2-4-8-19(15)24-17)22-16-11-14-5-1-3-7-18(14)21-13-16/h1-13H,(H,22,23)/b10-9+
InChIKeyVVRCKAWZEQOOLM-MDZDMXLPSA-N
XLogP4.63
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 54.63
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

3-phenyl-N-quinolin-3-ylprop-2-enamide
CID 4000416
(E)-N-(4-acetamidophenyl)-3-(1-benzofuran-2-yl)prop-2-enamide
CID 35049946
(E)-N-quinolin-3-yl-3-thiophen-2-ylprop-2-enamide
CID 18146464
(E)-3-(4-nitrophenyl)-N-quinolin-3-ylprop-2-enamide
CID 5372765
3-[4-(cyclohexylmethylamino)phenyl]-N-quinolin-3-ylprop-2-enamide
CID 66815738
(E)-3-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-quinolin-3-ylprop-2-enamide
CID 29330569
methyl 3-(1-benzofuran-2-yl)prop-2-enoate
CID 1479261
(E)-3-(1-benzofuran-2-yl)-N-[2-(propan-2-ylcarbamoylamino)phenyl]prop-2-enamide
CID 60555532
(E)-3-(1-benzofuran-2-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)prop-2-enamide
CID 35802231
(E)-3-(1-benzofuran-2-yl)-N-(1-hydroxybutan-2-yl)prop-2-enamide
CID 110886328
(E)-N-(7-methoxyquinolin-3-yl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 95745053
(E)-3-(1-benzofuran-2-yl)-N-(2-pyridin-2-ylethyl)prop-2-enamide
CID 39400764

Frequently Asked Questions

What is the IUPAC name of (E)-3-(1-benzofuran-2-yl)-N-quinolin-3-ylprop-2-enamide?
The IUPAC name of (E)-3-(1-benzofuran-2-yl)-N-quinolin-3-ylprop-2-enamide (CID 32840230) is (E)-3-(1-benzofuran-2-yl)-N-quinolin-3-ylprop-2-enamide.
What is the SMILES notation for (E)-3-(1-benzofuran-2-yl)-N-quinolin-3-ylprop-2-enamide?
The canonical SMILES for (E)-3-(1-benzofuran-2-yl)-N-quinolin-3-ylprop-2-enamide is O=C(/C=C/c1cc2ccccc2o1)Nc1cnc2ccccc2c1.
What is the InChIKey of (E)-3-(1-benzofuran-2-yl)-N-quinolin-3-ylprop-2-enamide?
The InChIKey is VVRCKAWZEQOOLM-MDZDMXLPSA-N. The full InChI is InChI=1S/C20H14N2O2/c23-20(10-9-17-12-15-6-2-4-8-19(15)24-17)22-16-11-14-5-1-3-7-18(14)21-13-16/h1-13H,(H,22,23)/b10-9+.
What are the key properties of (E)-3-(1-benzofuran-2-yl)-N-quinolin-3-ylprop-2-enamide?
(E)-3-(1-benzofuran-2-yl)-N-quinolin-3-ylprop-2-enamide has a molecular weight of 314.34 g/mol, XLogP of 4.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(1-benzofuran-2-yl)-N-quinolin-3-ylprop-2-enamide is sourced from PubChem (CID 32840230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).