(E)-N-[2-(2-chlorophenoxy)phenyl]-3-quinoxalin-2-ylprop-2-enamide

C23H16ClN3O2 — CID 37348146

IUPAC(E)-N-[2-(2-chlorophenoxy)phenyl]-3-quinoxalin-2-ylprop-2-enamide
SMILESO=C(/C=C/c1cnc2ccccc2n1)Nc1ccccc1Oc1ccccc1Cl
InChIInChI=1S/C23H16ClN3O2/c24-17-7-1-5-11-21(17)29-22-12-6-4-10-20(22)27-23(28)14-13-16-15-25-18-8-2-3-9-19(18)26-16/h1-15H,(H,27,28)/b14-13+
InChIKeyXJBPQZJFVATIFU-BUHFOSPRSA-N
MW401.85 g/mol
LogP5.73
Rot. Bonds5

About (E)-N-[2-(2-chlorophenoxy)phenyl]-3-quinoxalin-2-ylprop-2-enamide

(E)-N-[2-(2-chlorophenoxy)phenyl]-3-quinoxalin-2-ylprop-2-enamide (PubChem CID 37348146) has the molecular formula C23H16ClN3O2 and a molecular weight of 401.85 g/mol. Its IUPAC name is (E)-N-[2-(2-chlorophenoxy)phenyl]-3-quinoxalin-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(2-chlorophenoxy)phenyl]-3-quinoxalin-2-ylprop-2-enamide
PubChem CID37348146
Molecular FormulaC23H16ClN3O2
Molecular Weight401.85 g/mol
Exact Mass401.09
IUPAC Name(E)-N-[2-(2-chlorophenoxy)phenyl]-3-quinoxalin-2-ylprop-2-enamide
SMILESO=C(/C=C/c1cnc2ccccc2n1)Nc1ccccc1Oc1ccccc1Cl
InChIInChI=1S/C23H16ClN3O2/c24-17-7-1-5-11-21(17)29-22-12-6-4-10-20(22)27-23(28)14-13-16-15-25-18-8-2-3-9-19(18)26-16/h1-15H,(H,27,28)/b14-13+
InChIKeyXJBPQZJFVATIFU-BUHFOSPRSA-N
XLogP5.73
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.85
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(3-chloro-2-fluorophenyl)-3-quinoxalin-2-ylprop-2-enamide
CID 17392748
(E)-N-(2-ethoxyphenyl)-3-quinoxalin-2-ylprop-2-enamide
CID 17444738
(E)-N-(2-piperidin-1-ylphenyl)-3-quinoxalin-2-ylprop-2-enamide
CID 29292187
(E)-N-(3-chlorophenyl)-3-quinoxalin-2-ylprop-2-enamide
CID 26086334
(E)-N-[2-(2-chlorophenoxy)phenyl]-3-(furan-2-yl)prop-2-enamide
CID 26764102
(E)-N-(3-chloro-4-fluorophenyl)-3-quinoxalin-2-ylprop-2-enamide
CID 26695967
N-(4-chloro-3-fluorophenyl)-3-quinoxalin-2-ylprop-2-enamide
CID 76884248
(E)-N-(4-fluoro-2-methylphenyl)-3-quinoxalin-2-ylprop-2-enamide
CID 26239755
(E)-N-[1-(2-chlorophenyl)ethyl]-3-quinoxalin-2-ylprop-2-enamide
CID 78773460
(E)-N-[2-(2-chlorophenoxy)phenyl]-3-(2-nitrophenyl)prop-2-enamide
CID 16568447
(E)-N-(3-hydroxyphenyl)-3-quinoxalin-2-ylprop-2-enamide
CID 78783120
(E)-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-3-quinoxalin-2-ylprop-2-enamide
CID 26177460

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(2-chlorophenoxy)phenyl]-3-quinoxalin-2-ylprop-2-enamide?
The IUPAC name of (E)-N-[2-(2-chlorophenoxy)phenyl]-3-quinoxalin-2-ylprop-2-enamide (CID 37348146) is (E)-N-[2-(2-chlorophenoxy)phenyl]-3-quinoxalin-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[2-(2-chlorophenoxy)phenyl]-3-quinoxalin-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-[2-(2-chlorophenoxy)phenyl]-3-quinoxalin-2-ylprop-2-enamide is O=C(/C=C/c1cnc2ccccc2n1)Nc1ccccc1Oc1ccccc1Cl.
What is the InChIKey of (E)-N-[2-(2-chlorophenoxy)phenyl]-3-quinoxalin-2-ylprop-2-enamide?
The InChIKey is XJBPQZJFVATIFU-BUHFOSPRSA-N. The full InChI is InChI=1S/C23H16ClN3O2/c24-17-7-1-5-11-21(17)29-22-12-6-4-10-20(22)27-23(28)14-13-16-15-25-18-8-2-3-9-19(18)26-16/h1-15H,(H,27,28)/b14-13+.
What are the key properties of (E)-N-[2-(2-chlorophenoxy)phenyl]-3-quinoxalin-2-ylprop-2-enamide?
(E)-N-[2-(2-chlorophenoxy)phenyl]-3-quinoxalin-2-ylprop-2-enamide has a molecular weight of 401.85 g/mol, XLogP of 5.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(2-chlorophenoxy)phenyl]-3-quinoxalin-2-ylprop-2-enamide is sourced from PubChem (CID 37348146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).