N-cyclopropyl-4-methyl-3-[[4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanoyl]amino]benzamide

C23H24N4O4 — CID 55786174

IUPACN-cyclopropyl-4-methyl-3-[[4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanoyl]amino]benzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1NC(=O)CCC(=O)N1CC(=O)Nc2ccccc21
InChIInChI=1S/C23H24N4O4/c1-14-6-7-15(23(31)24-16-8-9-16)12-18(14)26-20(28)10-11-22(30)27-13-21(29)25-17-4-2-3-5-19(17)27/h2-7,12,16H,8-11,13H2,1H3,(H,24,31)(H,25,29)(H,26,28)
InChIKeyLJQSZQOJGACSHV-UHFFFAOYSA-N
MW420.47 g/mol
LogP2.59
Rot. Bonds6

About N-cyclopropyl-4-methyl-3-[[4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanoyl]amino]benzamide

N-cyclopropyl-4-methyl-3-[[4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanoyl]amino]benzamide (PubChem CID 55786174) has the molecular formula C23H24N4O4 and a molecular weight of 420.47 g/mol. Its IUPAC name is N-cyclopropyl-4-methyl-3-[[4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanoyl]amino]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-methyl-3-[[4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanoyl]amino]benzamide
PubChem CID55786174
Molecular FormulaC23H24N4O4
Molecular Weight420.47 g/mol
Exact Mass420.18
IUPAC NameN-cyclopropyl-4-methyl-3-[[4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanoyl]amino]benzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1NC(=O)CCC(=O)N1CC(=O)Nc2ccccc21
InChIInChI=1S/C23H24N4O4/c1-14-6-7-15(23(31)24-16-8-9-16)12-18(14)26-20(28)10-11-22(30)27-13-21(29)25-17-4-2-3-5-19(17)27/h2-7,12,16H,8-11,13H2,1H3,(H,24,31)(H,25,29)(H,26,28)
InChIKeyLJQSZQOJGACSHV-UHFFFAOYSA-N
XLogP2.59
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-cycloheptyl-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide
CID 35806320
4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)butanamide
CID 51174755
N-[2-(methylamino)ethyl]-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide
CID 119502929
N-cyclopropyl-4-methyl-3-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]benzamide
CID 55963383
N-[5-chloro-2-(dimethylamino)phenyl]-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide
CID 55360109
3-[(2-chloroacetyl)amino]-N-cyclopropyl-4-methylbenzamide
CID 11265619
N-[(1R,2R)-2-tert-butylcyclohexyl]-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide
CID 39635856
3-[3-(2-aminophenyl)propanoylamino]-N-cyclopropyl-4-methylbenzamide;hydrochloride
CID 120608755
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide
CID 120882988
[2-(cyclopropylamino)-2-oxoethyl]-methyl-[(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl]azanium
CID 8911016
ethane;4-[3-(2-hydroxyethylamino)propanoyl]-1,3-dihydroquinoxalin-2-one;propane
CID 163261655
N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide
CID 55845935

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-methyl-3-[[4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanoyl]amino]benzamide?
The IUPAC name of N-cyclopropyl-4-methyl-3-[[4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanoyl]amino]benzamide (CID 55786174) is N-cyclopropyl-4-methyl-3-[[4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanoyl]amino]benzamide.
What is the SMILES notation for N-cyclopropyl-4-methyl-3-[[4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanoyl]amino]benzamide?
The canonical SMILES for N-cyclopropyl-4-methyl-3-[[4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanoyl]amino]benzamide is Cc1ccc(C(=O)NC2CC2)cc1NC(=O)CCC(=O)N1CC(=O)Nc2ccccc21.
What is the InChIKey of N-cyclopropyl-4-methyl-3-[[4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanoyl]amino]benzamide?
The InChIKey is LJQSZQOJGACSHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O4/c1-14-6-7-15(23(31)24-16-8-9-16)12-18(14)26-20(28)10-11-22(30)27-13-21(29)25-17-4-2-3-5-19(17)27/h2-7,12,16H,8-11,13H2,1H3,(H,24,31)(H,25,29)(H,26,28).
What are the key properties of N-cyclopropyl-4-methyl-3-[[4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanoyl]amino]benzamide?
N-cyclopropyl-4-methyl-3-[[4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanoyl]amino]benzamide has a molecular weight of 420.47 g/mol, XLogP of 2.59, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-methyl-3-[[4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanoyl]amino]benzamide is sourced from PubChem (CID 55786174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).