N-(3,4-dichlorophenyl)-2-[2-oxo-3-[(Z)-2-pyridin-4-ylethenyl]quinoxalin-1-yl]acetamide

C23H16Cl2N4O2 — CID 127031789

IUPACN-(3,4-dichlorophenyl)-2-[2-oxo-3-[(Z)-2-pyridin-4-ylethenyl]quinoxalin-1-yl]acetamide
SMILESO=C(Cn1c(=O)c(/C=C\c2ccncc2)nc2ccccc21)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C23H16Cl2N4O2/c24-17-7-6-16(13-18(17)25)27-22(30)14-29-21-4-2-1-3-19(21)28-20(23(29)31)8-5-15-9-11-26-12-10-15/h1-13H,14H2,(H,27,30)/b8-5-
InChIKeyAAMGZMVGONQFCP-YVMONPNESA-N
MW451.31 g/mol
LogP4.91
Rot. Bonds5

About N-(3,4-dichlorophenyl)-2-[2-oxo-3-[(Z)-2-pyridin-4-ylethenyl]quinoxalin-1-yl]acetamide

N-(3,4-dichlorophenyl)-2-[2-oxo-3-[(Z)-2-pyridin-4-ylethenyl]quinoxalin-1-yl]acetamide (PubChem CID 127031789) has the molecular formula C23H16Cl2N4O2 and a molecular weight of 451.31 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-2-[2-oxo-3-[(Z)-2-pyridin-4-ylethenyl]quinoxalin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-2-[2-oxo-3-[(Z)-2-pyridin-4-ylethenyl]quinoxalin-1-yl]acetamide
PubChem CID127031789
Molecular FormulaC23H16Cl2N4O2
Molecular Weight451.31 g/mol
Exact Mass450.07
IUPAC NameN-(3,4-dichlorophenyl)-2-[2-oxo-3-[(Z)-2-pyridin-4-ylethenyl]quinoxalin-1-yl]acetamide
SMILESO=C(Cn1c(=O)c(/C=C\c2ccncc2)nc2ccccc21)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C23H16Cl2N4O2/c24-17-7-6-16(13-18(17)25)27-22(30)14-29-21-4-2-1-3-19(21)28-20(23(29)31)8-5-15-9-11-26-12-10-15/h1-13H,14H2,(H,27,30)/b8-5-
InChIKeyAAMGZMVGONQFCP-YVMONPNESA-N
XLogP4.91
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.31
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chlorophenyl)-2-[2-oxo-3-[(Z)-2-pyridin-4-ylethenyl]quinoxalin-1-yl]acetamide
CID 127031788
2-[3-[(E)-2-(4-hydroxyphenyl)ethenyl]-2-oxoquinoxalin-1-yl]acetic acid
CID 136961595
3-[4-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-methylpropanamide
CID 53129324
N-(4-fluorophenyl)-2-[2-(2-phenylethenyl)benzimidazol-1-yl]acetamide
CID 4582397
N-(3-methylphenyl)-2-[2-(2-phenylethenyl)benzimidazol-1-yl]acetamide
CID 5084870
2-[3-[acetyl(benzyl)amino]-2-oxoquinoxalin-1-yl]-N-(3-chloro-4-fluorophenyl)acetamide
CID 53097867
N-benzyl-3-[4-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]propanamide
CID 50833138
N-(3,4-dichlorophenyl)-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide
CID 7171467
2-[2-[(3,4-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(4-methoxyphenyl)acetamide
CID 51066936
N-[4-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-methylpropanamide
CID 53097761
2-[2-[(E)-2-phenylethenyl]benzimidazol-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 17031747
N-[2-[4-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]phenyl]-2-methylpropanamide
CID 46367572

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-2-[2-oxo-3-[(Z)-2-pyridin-4-ylethenyl]quinoxalin-1-yl]acetamide?
The IUPAC name of N-(3,4-dichlorophenyl)-2-[2-oxo-3-[(Z)-2-pyridin-4-ylethenyl]quinoxalin-1-yl]acetamide (CID 127031789) is N-(3,4-dichlorophenyl)-2-[2-oxo-3-[(Z)-2-pyridin-4-ylethenyl]quinoxalin-1-yl]acetamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-2-[2-oxo-3-[(Z)-2-pyridin-4-ylethenyl]quinoxalin-1-yl]acetamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-2-[2-oxo-3-[(Z)-2-pyridin-4-ylethenyl]quinoxalin-1-yl]acetamide is O=C(Cn1c(=O)c(/C=C\c2ccncc2)nc2ccccc21)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-(3,4-dichlorophenyl)-2-[2-oxo-3-[(Z)-2-pyridin-4-ylethenyl]quinoxalin-1-yl]acetamide?
The InChIKey is AAMGZMVGONQFCP-YVMONPNESA-N. The full InChI is InChI=1S/C23H16Cl2N4O2/c24-17-7-6-16(13-18(17)25)27-22(30)14-29-21-4-2-1-3-19(21)28-20(23(29)31)8-5-15-9-11-26-12-10-15/h1-13H,14H2,(H,27,30)/b8-5-.
What are the key properties of N-(3,4-dichlorophenyl)-2-[2-oxo-3-[(Z)-2-pyridin-4-ylethenyl]quinoxalin-1-yl]acetamide?
N-(3,4-dichlorophenyl)-2-[2-oxo-3-[(Z)-2-pyridin-4-ylethenyl]quinoxalin-1-yl]acetamide has a molecular weight of 451.31 g/mol, XLogP of 4.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-2-[2-oxo-3-[(Z)-2-pyridin-4-ylethenyl]quinoxalin-1-yl]acetamide is sourced from PubChem (CID 127031789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).