N-[5-chloro-2-(dimethylamino)phenyl]-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide

C20H21ClN4O3 — CID 55360109

IUPACN-[5-chloro-2-(dimethylamino)phenyl]-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide
SMILESCN(C)c1ccc(Cl)cc1NC(=O)CCC(=O)N1CC(=O)Nc2ccccc21
InChIInChI=1S/C20H21ClN4O3/c1-24(2)16-8-7-13(21)11-15(16)23-18(26)9-10-20(28)25-12-19(27)22-14-5-3-4-6-17(14)25/h3-8,11H,9-10,12H2,1-2H3,(H,22,27)(H,23,26)
InChIKeyKNCJPOPSEYEKBE-UHFFFAOYSA-N
MW400.87 g/mol
LogP3.11
Rot. Bonds5

About N-[5-chloro-2-(dimethylamino)phenyl]-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide

N-[5-chloro-2-(dimethylamino)phenyl]-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide (PubChem CID 55360109) has the molecular formula C20H21ClN4O3 and a molecular weight of 400.87 g/mol. Its IUPAC name is N-[5-chloro-2-(dimethylamino)phenyl]-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide.

Molecular Properties

Compound NameN-[5-chloro-2-(dimethylamino)phenyl]-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide
PubChem CID55360109
Molecular FormulaC20H21ClN4O3
Molecular Weight400.87 g/mol
Exact Mass400.13
IUPAC NameN-[5-chloro-2-(dimethylamino)phenyl]-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide
SMILESCN(C)c1ccc(Cl)cc1NC(=O)CCC(=O)N1CC(=O)Nc2ccccc21
InChIInChI=1S/C20H21ClN4O3/c1-24(2)16-8-7-13(21)11-15(16)23-18(26)9-10-20(28)25-12-19(27)22-14-5-3-4-6-17(14)25/h3-8,11H,9-10,12H2,1-2H3,(H,22,27)(H,23,26)
InChIKeyKNCJPOPSEYEKBE-UHFFFAOYSA-N
XLogP3.11
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.87
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[5-chloro-2-(dimethylamino)phenyl]-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[3-(4-chlorophenyl)propanoyl]-1,3-dihydroquinoxalin-2-one
CID 51280680
4-chloro-N-methyl-N-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]benzenesulfonamide
CID 51142515
4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)butanamide
CID 51174755
N-(4-chloro-2-methylphenyl)-N-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]methanesulfonamide
CID 6493131
N-cyclopropyl-4-methyl-3-[[4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanoyl]amino]benzamide
CID 55786174
N-(2-methylquinolin-8-yl)-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide;hydrochloride
CID 171667543
4-amino-N-[5-chloro-2-(dimethylamino)phenyl]butanamide
CID 43710281
N-[5-chloro-2-(dimethylamino)phenyl]-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 78778183
N-[1-(2-chlorophenyl)ethyl]-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide
CID 51175249
4-[2-[(4-chlorophenyl)methylsulfanyl]acetyl]-1,3-dihydroquinoxalin-2-one
CID 9390348
2-hydroxy-N-[3-oxo-3-(3-oxo-2,4-dihydroquinoxalin-1-yl)propyl]acetamide
CID 163261629
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide
CID 120882988

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(dimethylamino)phenyl]-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide?
The IUPAC name of N-[5-chloro-2-(dimethylamino)phenyl]-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide (CID 55360109) is N-[5-chloro-2-(dimethylamino)phenyl]-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide.
What is the SMILES notation for N-[5-chloro-2-(dimethylamino)phenyl]-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide?
The canonical SMILES for N-[5-chloro-2-(dimethylamino)phenyl]-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide is CN(C)c1ccc(Cl)cc1NC(=O)CCC(=O)N1CC(=O)Nc2ccccc21.
What is the InChIKey of N-[5-chloro-2-(dimethylamino)phenyl]-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide?
The InChIKey is KNCJPOPSEYEKBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O3/c1-24(2)16-8-7-13(21)11-15(16)23-18(26)9-10-20(28)25-12-19(27)22-14-5-3-4-6-17(14)25/h3-8,11H,9-10,12H2,1-2H3,(H,22,27)(H,23,26).
What are the key properties of N-[5-chloro-2-(dimethylamino)phenyl]-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide?
N-[5-chloro-2-(dimethylamino)phenyl]-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide has a molecular weight of 400.87 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(dimethylamino)phenyl]-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide is sourced from PubChem (CID 55360109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).