N-[2,3-bis(3,4-dichloroanilino)quinoxalin-6-yl]acetamide

C22H15Cl4N5O — CID 155459055

IUPACN-[2,3-bis(3,4-dichloroanilino)quinoxalin-6-yl]acetamide
SMILESCC(=O)Nc1ccc2nc(Nc3ccc(Cl)c(Cl)c3)c(Nc3ccc(Cl)c(Cl)c3)nc2c1
InChIInChI=1S/C22H15Cl4N5O/c1-11(32)27-14-4-7-19-20(10-14)31-22(29-13-3-6-16(24)18(26)9-13)21(30-19)28-12-2-5-15(23)17(25)8-12/h2-10H,1H3,(H,27,32)(H,28,30)(H,29,31)
InChIKeyWUISMAZEGZXWHZ-UHFFFAOYSA-N
MW507.21 g/mol
LogP7.69
Rot. Bonds5

About N-[2,3-bis(3,4-dichloroanilino)quinoxalin-6-yl]acetamide

N-[2,3-bis(3,4-dichloroanilino)quinoxalin-6-yl]acetamide (PubChem CID 155459055) has the molecular formula C22H15Cl4N5O and a molecular weight of 507.21 g/mol. Its IUPAC name is N-[2,3-bis(3,4-dichloroanilino)quinoxalin-6-yl]acetamide.

Molecular Properties

Compound NameN-[2,3-bis(3,4-dichloroanilino)quinoxalin-6-yl]acetamide
PubChem CID155459055
Molecular FormulaC22H15Cl4N5O
Molecular Weight507.21 g/mol
Exact Mass505.00
IUPAC NameN-[2,3-bis(3,4-dichloroanilino)quinoxalin-6-yl]acetamide
SMILESCC(=O)Nc1ccc2nc(Nc3ccc(Cl)c(Cl)c3)c(Nc3ccc(Cl)c(Cl)c3)nc2c1
InChIInChI=1S/C22H15Cl4N5O/c1-11(32)27-14-4-7-19-20(10-14)31-22(29-13-3-6-16(24)18(26)9-13)21(30-19)28-12-2-5-15(23)17(25)8-12/h2-10H,1H3,(H,27,32)(H,28,30)(H,29,31)
InChIKeyWUISMAZEGZXWHZ-UHFFFAOYSA-N
XLogP7.69
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.21
LogP ≤ 57.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2,3-Bis(3,4-dichloroanilino)-6-nitroquinoxaline
CID 3113551
2-N,3-N-bis(3-chlorophenyl)-6-nitroquinoxaline-2,3-diamine
CID 155458981
2-N,3-N-bis(4-chlorophenyl)-6-nitroquinoxaline-2,3-diamine
CID 155458986
N-[2,3-bis(3,4-dichloroanilino)quinoxalin-6-yl]hexanamide
CID 155458998
2-[(3,4-Dichloro-phenyl)amino]-3-phenyl-5,7-diaminoquinoxaline
CID 24203444
2-[(3,4-Dichloro-phenyl)amino]-3-phenyl-5,7-dinitro-quinoxaline
CID 24796668
6-chloro-2-N,3-N-bis(4-chlorophenyl)quinoxaline-2,3-diamine
CID 44531684
2-N,3-N-bis(3,4-dichlorophenyl)-6-pyrrolidin-1-ylquinoxaline-2,3-diamine
CID 155459054
2-N,3-N-bis(3,4-dichlorophenyl)quinoxaline-2,3,6-triamine
CID 155459077
N,N'-bis(4-chlorophenyl)quinoxaline-2,3-diamine
CID 468691
N-(3,4-dichlorophenyl)-3-(3,5-dimethyl-1H-pyrazol-1-yl)quinoxalin-2-amine
CID 15989729
1-(4-Chlorophenyl)-3-(3,4-dichlorophenyl)imidazo[4,5-b]quinoxalin-2-one
CID 44517354

Frequently Asked Questions

What is the IUPAC name of N-[2,3-bis(3,4-dichloroanilino)quinoxalin-6-yl]acetamide?
The IUPAC name of N-[2,3-bis(3,4-dichloroanilino)quinoxalin-6-yl]acetamide (CID 155459055) is N-[2,3-bis(3,4-dichloroanilino)quinoxalin-6-yl]acetamide.
What is the SMILES notation for N-[2,3-bis(3,4-dichloroanilino)quinoxalin-6-yl]acetamide?
The canonical SMILES for N-[2,3-bis(3,4-dichloroanilino)quinoxalin-6-yl]acetamide is CC(=O)Nc1ccc2nc(Nc3ccc(Cl)c(Cl)c3)c(Nc3ccc(Cl)c(Cl)c3)nc2c1.
What is the InChIKey of N-[2,3-bis(3,4-dichloroanilino)quinoxalin-6-yl]acetamide?
The InChIKey is WUISMAZEGZXWHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15Cl4N5O/c1-11(32)27-14-4-7-19-20(10-14)31-22(29-13-3-6-16(24)18(26)9-13)21(30-19)28-12-2-5-15(23)17(25)8-12/h2-10H,1H3,(H,27,32)(H,28,30)(H,29,31).
What are the key properties of N-[2,3-bis(3,4-dichloroanilino)quinoxalin-6-yl]acetamide?
N-[2,3-bis(3,4-dichloroanilino)quinoxalin-6-yl]acetamide has a molecular weight of 507.21 g/mol, XLogP of 7.69, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,3-bis(3,4-dichloroanilino)quinoxalin-6-yl]acetamide is sourced from PubChem (CID 155459055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).