phenyl 6-(2-aminoethylcarbamoyl)-2-butan-2-yl-3-oxo-2,4-dihydroquinoxaline-1-carboxylate

C22H26N4O4 — CID 23939683

IUPACphenyl 6-(2-aminoethylcarbamoyl)-2-butan-2-yl-3-oxo-2,4-dihydroquinoxaline-1-carboxylate
SMILESCCC(C)C1C(=O)Nc2cc(C(=O)NCCN)ccc2N1C(=O)Oc1ccccc1
InChIInChI=1S/C22H26N4O4/c1-3-14(2)19-21(28)25-17-13-15(20(27)24-12-11-23)9-10-18(17)26(19)22(29)30-16-7-5-4-6-8-16/h4-10,13-14,19H,3,11-12,23H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyRDRNYRQWOZOGND-UHFFFAOYSA-N
MW410.47 g/mol
LogP2.75
Rot. Bonds6

About phenyl 6-(2-aminoethylcarbamoyl)-2-butan-2-yl-3-oxo-2,4-dihydroquinoxaline-1-carboxylate

phenyl 6-(2-aminoethylcarbamoyl)-2-butan-2-yl-3-oxo-2,4-dihydroquinoxaline-1-carboxylate (PubChem CID 23939683) has the molecular formula C22H26N4O4 and a molecular weight of 410.47 g/mol. Its IUPAC name is phenyl 6-(2-aminoethylcarbamoyl)-2-butan-2-yl-3-oxo-2,4-dihydroquinoxaline-1-carboxylate.

Molecular Properties

Compound Namephenyl 6-(2-aminoethylcarbamoyl)-2-butan-2-yl-3-oxo-2,4-dihydroquinoxaline-1-carboxylate
PubChem CID23939683
Molecular FormulaC22H26N4O4
Molecular Weight410.47 g/mol
Exact Mass410.20
IUPAC Namephenyl 6-(2-aminoethylcarbamoyl)-2-butan-2-yl-3-oxo-2,4-dihydroquinoxaline-1-carboxylate
SMILESCCC(C)C1C(=O)Nc2cc(C(=O)NCCN)ccc2N1C(=O)Oc1ccccc1
InChIInChI=1S/C22H26N4O4/c1-3-14(2)19-21(28)25-17-13-15(20(27)24-12-11-23)9-10-18(17)26(19)22(29)30-16-7-5-4-6-8-16/h4-10,13-14,19H,3,11-12,23H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyRDRNYRQWOZOGND-UHFFFAOYSA-N
XLogP2.75
TPSA113.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze phenyl 6-(2-aminoethylcarbamoyl)-2-butan-2-yl-3-oxo-2,4-dihydroquinoxaline-1-carboxylate 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

phenyl 6-[(2-aminocyclohexyl)carbamoyl]-3-oxo-2-propan-2-yl-2,4-dihydroquinoxaline-1-carboxylate
CID 23736294
N-(3-amino-2,2-dimethylpropyl)-2-butan-2-yl-1-(cyclopropanecarbonyl)-3-oxo-2,4-dihydroquinoxaline-6-carboxamide
CID 23903118
N-(4-aminocyclohexyl)-2-butan-2-yl-1-(3-methylbenzoyl)-3-oxo-2,4-dihydroquinoxaline-6-carboxamide
CID 23738063
(3S)-4-benzoyl-3-[(2S)-butan-2-yl]-7-methylsulfonyl-1,3-dihydroquinoxalin-2-one
CID 24730389
3-butan-2-yl-4-(2-hydroxyacetyl)-1,3-dihydroquinoxalin-2-one
CID 170319947
3-butan-2-yl-4-(1H-pyrazole-4-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 170319906
N-(2-aminoethyl)-1-(cyclopropanecarbonyl)-2-(4-fluorophenyl)-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide
CID 23736259
2-butan-2-yl-3-oxo-N-(3-propan-2-yloxypropyl)-2,4-dihydro-1H-quinoxaline-6-carboxamide
CID 22427177
CID 58916434
CID 58916434
(2S)-N-butyl-1-(2-fluorobenzoyl)-2-methyl-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide
CID 155928431
N-butyl-1-(2-fluorobenzoyl)-2-methyl-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide
CID 137499266
2-methyl-3-oxo-N-(3-phenoxypropyl)-4H-1,4-benzothiazine-6-carboxamide
CID 51241507

Frequently Asked Questions

What is the IUPAC name of phenyl 6-(2-aminoethylcarbamoyl)-2-butan-2-yl-3-oxo-2,4-dihydroquinoxaline-1-carboxylate?
The IUPAC name of phenyl 6-(2-aminoethylcarbamoyl)-2-butan-2-yl-3-oxo-2,4-dihydroquinoxaline-1-carboxylate (CID 23939683) is phenyl 6-(2-aminoethylcarbamoyl)-2-butan-2-yl-3-oxo-2,4-dihydroquinoxaline-1-carboxylate.
What is the SMILES notation for phenyl 6-(2-aminoethylcarbamoyl)-2-butan-2-yl-3-oxo-2,4-dihydroquinoxaline-1-carboxylate?
The canonical SMILES for phenyl 6-(2-aminoethylcarbamoyl)-2-butan-2-yl-3-oxo-2,4-dihydroquinoxaline-1-carboxylate is CCC(C)C1C(=O)Nc2cc(C(=O)NCCN)ccc2N1C(=O)Oc1ccccc1.
What is the InChIKey of phenyl 6-(2-aminoethylcarbamoyl)-2-butan-2-yl-3-oxo-2,4-dihydroquinoxaline-1-carboxylate?
The InChIKey is RDRNYRQWOZOGND-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O4/c1-3-14(2)19-21(28)25-17-13-15(20(27)24-12-11-23)9-10-18(17)26(19)22(29)30-16-7-5-4-6-8-16/h4-10,13-14,19H,3,11-12,23H2,1-2H3,(H,24,27)(H,25,28).
What are the key properties of phenyl 6-(2-aminoethylcarbamoyl)-2-butan-2-yl-3-oxo-2,4-dihydroquinoxaline-1-carboxylate?
phenyl 6-(2-aminoethylcarbamoyl)-2-butan-2-yl-3-oxo-2,4-dihydroquinoxaline-1-carboxylate has a molecular weight of 410.47 g/mol, XLogP of 2.75, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 6-(2-aminoethylcarbamoyl)-2-butan-2-yl-3-oxo-2,4-dihydroquinoxaline-1-carboxylate is sourced from PubChem (CID 23939683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).