(Z)-N-(2-oxoethyl)-2-pyridin-2-yl-3-quinolin-2-ylpent-2-enamide

C21H19N3O2 — CID 173285530

IUPAC(Z)-N-(2-oxoethyl)-2-pyridin-2-yl-3-quinolin-2-ylpent-2-enamide
SMILESCC/C(=C(/C(=O)NCC=O)c1ccccn1)c1ccc2ccccc2n1
InChIInChI=1S/C21H19N3O2/c1-2-16(18-11-10-15-7-3-4-8-17(15)24-18)20(21(26)23-13-14-25)19-9-5-6-12-22-19/h3-12,14H,2,13H2,1H3,(H,23,26)/b20-16-
InChIKeyXDENOQBCDHAHPW-SILNSSARSA-N
MW345.40 g/mol
LogP3.27
Rot. Bonds6

About (Z)-N-(2-oxoethyl)-2-pyridin-2-yl-3-quinolin-2-ylpent-2-enamide

(Z)-N-(2-oxoethyl)-2-pyridin-2-yl-3-quinolin-2-ylpent-2-enamide (PubChem CID 173285530) has the molecular formula C21H19N3O2 and a molecular weight of 345.40 g/mol. Its IUPAC name is (Z)-N-(2-oxoethyl)-2-pyridin-2-yl-3-quinolin-2-ylpent-2-enamide.

Molecular Properties

Compound Name(Z)-N-(2-oxoethyl)-2-pyridin-2-yl-3-quinolin-2-ylpent-2-enamide
PubChem CID173285530
Molecular FormulaC21H19N3O2
Molecular Weight345.40 g/mol
Exact Mass345.15
IUPAC Name(Z)-N-(2-oxoethyl)-2-pyridin-2-yl-3-quinolin-2-ylpent-2-enamide
SMILESCC/C(=C(/C(=O)NCC=O)c1ccccn1)c1ccc2ccccc2n1
InChIInChI=1S/C21H19N3O2/c1-2-16(18-11-10-15-7-3-4-8-17(15)24-18)20(21(26)23-13-14-25)19-9-5-6-12-22-19/h3-12,14H,2,13H2,1H3,(H,23,26)/b20-16-
InChIKeyXDENOQBCDHAHPW-SILNSSARSA-N
XLogP3.27
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-(2-oxoethyl)-2-pyridin-2-yl-3-quinolin-2-ylpent-2-enamide?
The IUPAC name of (Z)-N-(2-oxoethyl)-2-pyridin-2-yl-3-quinolin-2-ylpent-2-enamide (CID 173285530) is (Z)-N-(2-oxoethyl)-2-pyridin-2-yl-3-quinolin-2-ylpent-2-enamide.
What is the SMILES notation for (Z)-N-(2-oxoethyl)-2-pyridin-2-yl-3-quinolin-2-ylpent-2-enamide?
The canonical SMILES for (Z)-N-(2-oxoethyl)-2-pyridin-2-yl-3-quinolin-2-ylpent-2-enamide is CC/C(=C(/C(=O)NCC=O)c1ccccn1)c1ccc2ccccc2n1.
What is the InChIKey of (Z)-N-(2-oxoethyl)-2-pyridin-2-yl-3-quinolin-2-ylpent-2-enamide?
The InChIKey is XDENOQBCDHAHPW-SILNSSARSA-N. The full InChI is InChI=1S/C21H19N3O2/c1-2-16(18-11-10-15-7-3-4-8-17(15)24-18)20(21(26)23-13-14-25)19-9-5-6-12-22-19/h3-12,14H,2,13H2,1H3,(H,23,26)/b20-16-.
What are the key properties of (Z)-N-(2-oxoethyl)-2-pyridin-2-yl-3-quinolin-2-ylpent-2-enamide?
(Z)-N-(2-oxoethyl)-2-pyridin-2-yl-3-quinolin-2-ylpent-2-enamide has a molecular weight of 345.40 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(2-oxoethyl)-2-pyridin-2-yl-3-quinolin-2-ylpent-2-enamide is sourced from PubChem (CID 173285530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).