N-(3-amino-2,2-dimethylpropyl)-2-butan-2-yl-1-(cyclopropanecarbonyl)-3-oxo-2,4-dihydroquinoxaline-6-carboxamide

C22H32N4O3 — CID 23903118

IUPACN-(3-amino-2,2-dimethylpropyl)-2-butan-2-yl-1-(cyclopropanecarbonyl)-3-oxo-2,4-dihydroquinoxaline-6-carboxamide
SMILESCCC(C)C1C(=O)Nc2cc(C(=O)NCC(C)(C)CN)ccc2N1C(=O)C1CC1
InChIInChI=1S/C22H32N4O3/c1-5-13(2)18-20(28)25-16-10-15(19(27)24-12-22(3,4)11-23)8-9-17(16)26(18)21(29)14-6-7-14/h8-10,13-14,18H,5-7,11-12,23H2,1-4H3,(H,24,27)(H,25,28)
InChIKeyCPYMREMIYNFPOX-UHFFFAOYSA-N
MW400.52 g/mol
LogP2.51
Rot. Bonds7

About N-(3-amino-2,2-dimethylpropyl)-2-butan-2-yl-1-(cyclopropanecarbonyl)-3-oxo-2,4-dihydroquinoxaline-6-carboxamide

N-(3-amino-2,2-dimethylpropyl)-2-butan-2-yl-1-(cyclopropanecarbonyl)-3-oxo-2,4-dihydroquinoxaline-6-carboxamide (PubChem CID 23903118) has the molecular formula C22H32N4O3 and a molecular weight of 400.52 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-2-butan-2-yl-1-(cyclopropanecarbonyl)-3-oxo-2,4-dihydroquinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-2-butan-2-yl-1-(cyclopropanecarbonyl)-3-oxo-2,4-dihydroquinoxaline-6-carboxamide
PubChem CID23903118
Molecular FormulaC22H32N4O3
Molecular Weight400.52 g/mol
Exact Mass400.25
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-2-butan-2-yl-1-(cyclopropanecarbonyl)-3-oxo-2,4-dihydroquinoxaline-6-carboxamide
SMILESCCC(C)C1C(=O)Nc2cc(C(=O)NCC(C)(C)CN)ccc2N1C(=O)C1CC1
InChIInChI=1S/C22H32N4O3/c1-5-13(2)18-20(28)25-16-10-15(19(27)24-12-22(3,4)11-23)8-9-17(16)26(18)21(29)14-6-7-14/h8-10,13-14,18H,5-7,11-12,23H2,1-4H3,(H,24,27)(H,25,28)
InChIKeyCPYMREMIYNFPOX-UHFFFAOYSA-N
XLogP2.51
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.52
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-(3-amino-2,2-dimethylpropyl)-2-butan-2-yl-1-(cyclopropanecarbonyl)-3-oxo-2,4-dihydroquinoxaline-6-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

phenyl 6-(2-aminoethylcarbamoyl)-2-butan-2-yl-3-oxo-2,4-dihydroquinoxaline-1-carboxylate
CID 23939683
N-(4-aminocyclohexyl)-2-butan-2-yl-1-(3-methylbenzoyl)-3-oxo-2,4-dihydroquinoxaline-6-carboxamide
CID 23738063
N-(3-amino-2,2-dimethylpropyl)-2-cyclohexyl-1-(3,4-difluorobenzoyl)-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide
CID 23933101
N-(3-amino-2,2-dimethylpropyl)-1-(4-chlorobenzoyl)-3-oxo-2,4-dihydroquinoxaline-6-carboxamide
CID 23824577
N-(3-amino-2,2-dimethylpropyl)-1-[4-(dimethylamino)benzoyl]-2-(4-methylphenyl)-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide
CID 23851933
N-(2-aminoethyl)-1-(cyclopropanecarbonyl)-2-(4-fluorophenyl)-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide
CID 23736259
N-(3-amino-2,2-dimethylpropyl)-1-(2,4-dichlorobenzoyl)-2-(4-methylphenyl)-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide
CID 23742178
(3aS)-N-(2-methyl-2-piperidin-1-ylpropyl)-4-oxo-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline-7-carboxamide
CID 41036602
3-butan-2-yl-4-(2-hydroxyacetyl)-1,3-dihydroquinoxalin-2-one
CID 170319947
CID 58916434
CID 58916434
N-(3-amino-2,2-dimethylpropyl)-2-(2,4-dichlorophenyl)-4-oxo-1,2,3,5-tetrahydro-1,5-benzodiazepine-7-carboxamide
CID 23910431
N-[[3-(aminomethyl)phenyl]methyl]-1-(3-cyclopentylpropanoyl)-2-methyl-3-oxo-2,4-dihydroquinoxaline-6-carboxamide
CID 23937219

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-2-butan-2-yl-1-(cyclopropanecarbonyl)-3-oxo-2,4-dihydroquinoxaline-6-carboxamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-2-butan-2-yl-1-(cyclopropanecarbonyl)-3-oxo-2,4-dihydroquinoxaline-6-carboxamide (CID 23903118) is N-(3-amino-2,2-dimethylpropyl)-2-butan-2-yl-1-(cyclopropanecarbonyl)-3-oxo-2,4-dihydroquinoxaline-6-carboxamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-2-butan-2-yl-1-(cyclopropanecarbonyl)-3-oxo-2,4-dihydroquinoxaline-6-carboxamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-2-butan-2-yl-1-(cyclopropanecarbonyl)-3-oxo-2,4-dihydroquinoxaline-6-carboxamide is CCC(C)C1C(=O)Nc2cc(C(=O)NCC(C)(C)CN)ccc2N1C(=O)C1CC1.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-2-butan-2-yl-1-(cyclopropanecarbonyl)-3-oxo-2,4-dihydroquinoxaline-6-carboxamide?
The InChIKey is CPYMREMIYNFPOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O3/c1-5-13(2)18-20(28)25-16-10-15(19(27)24-12-22(3,4)11-23)8-9-17(16)26(18)21(29)14-6-7-14/h8-10,13-14,18H,5-7,11-12,23H2,1-4H3,(H,24,27)(H,25,28).
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-2-butan-2-yl-1-(cyclopropanecarbonyl)-3-oxo-2,4-dihydroquinoxaline-6-carboxamide?
N-(3-amino-2,2-dimethylpropyl)-2-butan-2-yl-1-(cyclopropanecarbonyl)-3-oxo-2,4-dihydroquinoxaline-6-carboxamide has a molecular weight of 400.52 g/mol, XLogP of 2.51, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-2-butan-2-yl-1-(cyclopropanecarbonyl)-3-oxo-2,4-dihydroquinoxaline-6-carboxamide is sourced from PubChem (CID 23903118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).