N-[1-(2-chlorophenyl)ethyl]-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide

C20H20ClN3O3 — CID 51175249

IUPACN-[1-(2-chlorophenyl)ethyl]-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide
SMILESCC(NC(=O)CCC(=O)N1CC(=O)Nc2ccccc21)c1ccccc1Cl
InChIInChI=1S/C20H20ClN3O3/c1-13(14-6-2-3-7-15(14)21)22-18(25)10-11-20(27)24-12-19(26)23-16-8-4-5-9-17(16)24/h2-9,13H,10-12H2,1H3,(H,22,25)(H,23,26)
InChIKeyRGQUKMOFIPPPLH-UHFFFAOYSA-N
MW385.85 g/mol
LogP3.28
Rot. Bonds5

About N-[1-(2-chlorophenyl)ethyl]-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide

N-[1-(2-chlorophenyl)ethyl]-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide (PubChem CID 51175249) has the molecular formula C20H20ClN3O3 and a molecular weight of 385.85 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)ethyl]-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)ethyl]-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide
PubChem CID51175249
Molecular FormulaC20H20ClN3O3
Molecular Weight385.85 g/mol
Exact Mass385.12
IUPAC NameN-[1-(2-chlorophenyl)ethyl]-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide
SMILESCC(NC(=O)CCC(=O)N1CC(=O)Nc2ccccc21)c1ccccc1Cl
InChIInChI=1S/C20H20ClN3O3/c1-13(14-6-2-3-7-15(14)21)22-18(25)10-11-20(27)24-12-19(26)23-16-8-4-5-9-17(16)24/h2-9,13H,10-12H2,1H3,(H,22,25)(H,23,26)
InChIKeyRGQUKMOFIPPPLH-UHFFFAOYSA-N
XLogP3.28
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.85
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-2-[[4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanoyl]amino]acetic acid
CID 119213630
N-[2-(methylamino)ethyl]-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide
CID 119502929
4-methoxy-2-[[4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanoyl]amino]butanoic acid
CID 120702228
4-[3-(4-propan-2-ylphenyl)propanoyl]-1,3-dihydroquinoxalin-2-one
CID 41453973
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] (2S)-2-[(2-chlorobenzoyl)amino]-3-methylbutanoate
CID 55926912
methyl 3-(4-fluorophenyl)-3-[[4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanoyl]amino]propanoate
CID 55994155
N-cycloheptyl-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide
CID 35806320
N-(2-ethylhexyl)-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide
CID 55358602
N-[(1R,2R)-2-tert-butylcyclohexyl]-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide
CID 39635856
N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide
CID 55845935
4-[3-(4-methylphenyl)propanoyl]-1,3-dihydroquinoxalin-2-one
CID 41453577
ethane;4-[3-(2-hydroxyethylamino)propanoyl]-1,3-dihydroquinoxalin-2-one;propane
CID 163261655

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)ethyl]-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide?
The IUPAC name of N-[1-(2-chlorophenyl)ethyl]-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide (CID 51175249) is N-[1-(2-chlorophenyl)ethyl]-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide.
What is the SMILES notation for N-[1-(2-chlorophenyl)ethyl]-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide?
The canonical SMILES for N-[1-(2-chlorophenyl)ethyl]-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide is CC(NC(=O)CCC(=O)N1CC(=O)Nc2ccccc21)c1ccccc1Cl.
What is the InChIKey of N-[1-(2-chlorophenyl)ethyl]-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide?
The InChIKey is RGQUKMOFIPPPLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O3/c1-13(14-6-2-3-7-15(14)21)22-18(25)10-11-20(27)24-12-19(26)23-16-8-4-5-9-17(16)24/h2-9,13H,10-12H2,1H3,(H,22,25)(H,23,26).
What are the key properties of N-[1-(2-chlorophenyl)ethyl]-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide?
N-[1-(2-chlorophenyl)ethyl]-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide has a molecular weight of 385.85 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)ethyl]-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide is sourced from PubChem (CID 51175249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).