(E)-N-[1-(2-chlorophenyl)ethyl]-3-quinoxalin-2-ylprop-2-enamide

C19H16ClN3O — CID 78773460

IUPAC(E)-N-[1-(2-chlorophenyl)ethyl]-3-quinoxalin-2-ylprop-2-enamide
SMILESCC(NC(=O)/C=C/c1cnc2ccccc2n1)c1ccccc1Cl
InChIInChI=1S/C19H16ClN3O/c1-13(15-6-2-3-7-16(15)20)22-19(24)11-10-14-12-21-17-8-4-5-9-18(17)23-14/h2-13H,1H3,(H,22,24)/b11-10+
InChIKeyQSDYPTXCTQFLHH-ZHACJKMWSA-N
MW337.81 g/mol
LogP4.17
Rot. Bonds4

About (E)-N-[1-(2-chlorophenyl)ethyl]-3-quinoxalin-2-ylprop-2-enamide

(E)-N-[1-(2-chlorophenyl)ethyl]-3-quinoxalin-2-ylprop-2-enamide (PubChem CID 78773460) has the molecular formula C19H16ClN3O and a molecular weight of 337.81 g/mol. Its IUPAC name is (E)-N-[1-(2-chlorophenyl)ethyl]-3-quinoxalin-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[1-(2-chlorophenyl)ethyl]-3-quinoxalin-2-ylprop-2-enamide
PubChem CID78773460
Molecular FormulaC19H16ClN3O
Molecular Weight337.81 g/mol
Exact Mass337.10
IUPAC Name(E)-N-[1-(2-chlorophenyl)ethyl]-3-quinoxalin-2-ylprop-2-enamide
SMILESCC(NC(=O)/C=C/c1cnc2ccccc2n1)c1ccccc1Cl
InChIInChI=1S/C19H16ClN3O/c1-13(15-6-2-3-7-16(15)20)22-19(24)11-10-14-12-21-17-8-4-5-9-18(17)23-14/h2-13H,1H3,(H,22,24)/b11-10+
InChIKeyQSDYPTXCTQFLHH-ZHACJKMWSA-N
XLogP4.17
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.81
LogP ≤ 54.17
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

N-[1-(4-bromophenyl)ethyl]-3-quinoxalin-2-ylprop-2-enamide
CID 78775982
(E)-N-(1-hydroxypropan-2-yl)-3-quinoxalin-2-ylprop-2-enamide
CID 78857543
(E)-N-(2-methyl-1-phenylpropyl)-3-quinoxalin-2-ylprop-2-enamide
CID 78813722
(E)-N-propyl-3-quinoxalin-2-ylprop-2-enamide
CID 29292325
N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-3-quinoxalin-2-ylprop-2-enamide
CID 76884420
(E)-N-(3-chloro-2-fluorophenyl)-3-quinoxalin-2-ylprop-2-enamide
CID 17392748
(E)-N-[1-(1-adamantyl)ethyl]-3-quinoxalin-2-ylprop-2-enamide
CID 6211917
(2E,4E)-N-[1-(2-chlorophenyl)ethyl]hexa-2,4-dienamide
CID 47101745
(E)-N-(4-methylpentyl)-3-quinoxalin-2-ylprop-2-enamide
CID 33075877
(E)-N-[2-(2-chlorophenoxy)phenyl]-3-quinoxalin-2-ylprop-2-enamide
CID 37348146
N-(2-propan-2-ylpyrazol-3-yl)-3-quinoxalin-2-ylprop-2-enamide
CID 78772196
(E)-N-(3-chlorophenyl)-3-quinoxalin-2-ylprop-2-enamide
CID 26086334

Frequently Asked Questions

What is the IUPAC name of (E)-N-[1-(2-chlorophenyl)ethyl]-3-quinoxalin-2-ylprop-2-enamide?
The IUPAC name of (E)-N-[1-(2-chlorophenyl)ethyl]-3-quinoxalin-2-ylprop-2-enamide (CID 78773460) is (E)-N-[1-(2-chlorophenyl)ethyl]-3-quinoxalin-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[1-(2-chlorophenyl)ethyl]-3-quinoxalin-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-[1-(2-chlorophenyl)ethyl]-3-quinoxalin-2-ylprop-2-enamide is CC(NC(=O)/C=C/c1cnc2ccccc2n1)c1ccccc1Cl.
What is the InChIKey of (E)-N-[1-(2-chlorophenyl)ethyl]-3-quinoxalin-2-ylprop-2-enamide?
The InChIKey is QSDYPTXCTQFLHH-ZHACJKMWSA-N. The full InChI is InChI=1S/C19H16ClN3O/c1-13(15-6-2-3-7-16(15)20)22-19(24)11-10-14-12-21-17-8-4-5-9-18(17)23-14/h2-13H,1H3,(H,22,24)/b11-10+.
What are the key properties of (E)-N-[1-(2-chlorophenyl)ethyl]-3-quinoxalin-2-ylprop-2-enamide?
(E)-N-[1-(2-chlorophenyl)ethyl]-3-quinoxalin-2-ylprop-2-enamide has a molecular weight of 337.81 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[1-(2-chlorophenyl)ethyl]-3-quinoxalin-2-ylprop-2-enamide is sourced from PubChem (CID 78773460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).