N-(4-chlorophenyl)-2-[3-[(Z)-2-pyridin-4-ylethenyl]quinoxalin-2-yl]oxyacetamide

C23H17ClN4O2 — CID 127030510

IUPACN-(4-chlorophenyl)-2-[3-[(Z)-2-pyridin-4-ylethenyl]quinoxalin-2-yl]oxyacetamide
SMILESO=C(COc1nc2ccccc2nc1/C=C\c1ccncc1)Nc1ccc(Cl)cc1
InChIInChI=1S/C23H17ClN4O2/c24-17-6-8-18(9-7-17)26-22(29)15-30-23-21(10-5-16-11-13-25-14-12-16)27-19-3-1-2-4-20(19)28-23/h1-14H,15H2,(H,26,29)/b10-5-
InChIKeyOATTWFXCIGJXBM-YHYXMXQVSA-N
MW416.87 g/mol
LogP4.87
Rot. Bonds6

About N-(4-chlorophenyl)-2-[3-[(Z)-2-pyridin-4-ylethenyl]quinoxalin-2-yl]oxyacetamide

N-(4-chlorophenyl)-2-[3-[(Z)-2-pyridin-4-ylethenyl]quinoxalin-2-yl]oxyacetamide (PubChem CID 127030510) has the molecular formula C23H17ClN4O2 and a molecular weight of 416.87 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[3-[(Z)-2-pyridin-4-ylethenyl]quinoxalin-2-yl]oxyacetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[3-[(Z)-2-pyridin-4-ylethenyl]quinoxalin-2-yl]oxyacetamide
PubChem CID127030510
Molecular FormulaC23H17ClN4O2
Molecular Weight416.87 g/mol
Exact Mass416.10
IUPAC NameN-(4-chlorophenyl)-2-[3-[(Z)-2-pyridin-4-ylethenyl]quinoxalin-2-yl]oxyacetamide
SMILESO=C(COc1nc2ccccc2nc1/C=C\c1ccncc1)Nc1ccc(Cl)cc1
InChIInChI=1S/C23H17ClN4O2/c24-17-6-8-18(9-7-17)26-22(29)15-30-23-21(10-5-16-11-13-25-14-12-16)27-19-3-1-2-4-20(19)28-23/h1-14H,15H2,(H,26,29)/b10-5-
InChIKeyOATTWFXCIGJXBM-YHYXMXQVSA-N
XLogP4.87
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.87
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[3-[(Z)-2-pyridin-4-ylethenyl]quinoxalin-2-yl]oxyacetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[3-[(Z)-2-pyridin-4-ylethenyl]quinoxalin-2-yl]oxyacetamide (CID 127030510) is N-(4-chlorophenyl)-2-[3-[(Z)-2-pyridin-4-ylethenyl]quinoxalin-2-yl]oxyacetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[3-[(Z)-2-pyridin-4-ylethenyl]quinoxalin-2-yl]oxyacetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[3-[(Z)-2-pyridin-4-ylethenyl]quinoxalin-2-yl]oxyacetamide is O=C(COc1nc2ccccc2nc1/C=C\c1ccncc1)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-[3-[(Z)-2-pyridin-4-ylethenyl]quinoxalin-2-yl]oxyacetamide?
The InChIKey is OATTWFXCIGJXBM-YHYXMXQVSA-N. The full InChI is InChI=1S/C23H17ClN4O2/c24-17-6-8-18(9-7-17)26-22(29)15-30-23-21(10-5-16-11-13-25-14-12-16)27-19-3-1-2-4-20(19)28-23/h1-14H,15H2,(H,26,29)/b10-5-.
What are the key properties of N-(4-chlorophenyl)-2-[3-[(Z)-2-pyridin-4-ylethenyl]quinoxalin-2-yl]oxyacetamide?
N-(4-chlorophenyl)-2-[3-[(Z)-2-pyridin-4-ylethenyl]quinoxalin-2-yl]oxyacetamide has a molecular weight of 416.87 g/mol, XLogP of 4.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[3-[(Z)-2-pyridin-4-ylethenyl]quinoxalin-2-yl]oxyacetamide is sourced from PubChem (CID 127030510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).