phenyl 6-[(2-aminocyclohexyl)carbamoyl]-3-oxo-2-propan-2-yl-2,4-dihydroquinoxaline-1-carboxylate

C25H30N4O4 — CID 23736294

IUPACphenyl 6-[(2-aminocyclohexyl)carbamoyl]-3-oxo-2-propan-2-yl-2,4-dihydroquinoxaline-1-carboxylate
SMILESCC(C)C1C(=O)Nc2cc(C(=O)NC3CCCCC3N)ccc2N1C(=O)Oc1ccccc1
InChIInChI=1S/C25H30N4O4/c1-15(2)22-24(31)28-20-14-16(23(30)27-19-11-7-6-10-18(19)26)12-13-21(20)29(22)25(32)33-17-8-4-3-5-9-17/h3-5,8-9,12-15,18-19,22H,6-7,10-11,26H2,1-2H3,(H,27,30)(H,28,31)
InChIKeyCYKZYNWKUMHMRN-UHFFFAOYSA-N
MW450.54 g/mol
LogP3.67
Rot. Bonds4

About phenyl 6-[(2-aminocyclohexyl)carbamoyl]-3-oxo-2-propan-2-yl-2,4-dihydroquinoxaline-1-carboxylate

phenyl 6-[(2-aminocyclohexyl)carbamoyl]-3-oxo-2-propan-2-yl-2,4-dihydroquinoxaline-1-carboxylate (PubChem CID 23736294) has the molecular formula C25H30N4O4 and a molecular weight of 450.54 g/mol. Its IUPAC name is phenyl 6-[(2-aminocyclohexyl)carbamoyl]-3-oxo-2-propan-2-yl-2,4-dihydroquinoxaline-1-carboxylate.

Molecular Properties

Compound Namephenyl 6-[(2-aminocyclohexyl)carbamoyl]-3-oxo-2-propan-2-yl-2,4-dihydroquinoxaline-1-carboxylate
PubChem CID23736294
Molecular FormulaC25H30N4O4
Molecular Weight450.54 g/mol
Exact Mass450.23
IUPAC Namephenyl 6-[(2-aminocyclohexyl)carbamoyl]-3-oxo-2-propan-2-yl-2,4-dihydroquinoxaline-1-carboxylate
SMILESCC(C)C1C(=O)Nc2cc(C(=O)NC3CCCCC3N)ccc2N1C(=O)Oc1ccccc1
InChIInChI=1S/C25H30N4O4/c1-15(2)22-24(31)28-20-14-16(23(30)27-19-11-7-6-10-18(19)26)12-13-21(20)29(22)25(32)33-17-8-4-3-5-9-17/h3-5,8-9,12-15,18-19,22H,6-7,10-11,26H2,1-2H3,(H,27,30)(H,28,31)
InChIKeyCYKZYNWKUMHMRN-UHFFFAOYSA-N
XLogP3.67
TPSA113.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.54
LogP ≤ 53.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze phenyl 6-[(2-aminocyclohexyl)carbamoyl]-3-oxo-2-propan-2-yl-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-aminoethylcarbamoyl)-2-butan-2-yl-3-oxo-2,4-dihydroquinoxaline-1-carboxylate
CID 23939683
N-(2-aminocyclohexyl)-4-oxo-2-phenyl-1-(2-phenylacetyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide
CID 23879925
1-acetyl-N-(2-aminocyclohexyl)-2-(4-methylphenyl)-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide
CID 23852140
N-(2-aminocyclohexyl)-2-(4-methylphenyl)-4-oxo-1-(2-phenylacetyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide
CID 23857381
N-(2-aminocyclohexyl)-1-(cyclopropanecarbonyl)-2-(4-methylphenyl)-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide
CID 23851572
N-(2-aminocyclohexyl)-2-(2,4-dichlorophenyl)-4-oxo-1-(2-phenoxyacetyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide
CID 23763909
N-(2-aminocyclohexyl)-1-(4-nitrobenzoyl)-4-oxo-2-phenyl-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide
CID 23852395
N-(2-aminocyclohexyl)-4-oxo-2-phenyl-1,2,3,5-tetrahydro-1,5-benzodiazepine-7-carboxamide
CID 23848197
phenyl N-(2-aminocycloheptyl)carbamate
CID 63259010
N-(2-aminocyclohexyl)-1-(4-tert-butylbenzoyl)-3-oxo-2,4-dihydroquinoxaline-6-carboxamide
CID 23849249
N-[(1S,2R)-2-aminocyclohexyl]benzamide
CID 15151854
N-[(1S,2S)-2-aminocyclohexyl]benzamide
CID 15151853

Frequently Asked Questions

What is the IUPAC name of phenyl 6-[(2-aminocyclohexyl)carbamoyl]-3-oxo-2-propan-2-yl-2,4-dihydroquinoxaline-1-carboxylate?
The IUPAC name of phenyl 6-[(2-aminocyclohexyl)carbamoyl]-3-oxo-2-propan-2-yl-2,4-dihydroquinoxaline-1-carboxylate (CID 23736294) is phenyl 6-[(2-aminocyclohexyl)carbamoyl]-3-oxo-2-propan-2-yl-2,4-dihydroquinoxaline-1-carboxylate.
What is the SMILES notation for phenyl 6-[(2-aminocyclohexyl)carbamoyl]-3-oxo-2-propan-2-yl-2,4-dihydroquinoxaline-1-carboxylate?
The canonical SMILES for phenyl 6-[(2-aminocyclohexyl)carbamoyl]-3-oxo-2-propan-2-yl-2,4-dihydroquinoxaline-1-carboxylate is CC(C)C1C(=O)Nc2cc(C(=O)NC3CCCCC3N)ccc2N1C(=O)Oc1ccccc1.
What is the InChIKey of phenyl 6-[(2-aminocyclohexyl)carbamoyl]-3-oxo-2-propan-2-yl-2,4-dihydroquinoxaline-1-carboxylate?
The InChIKey is CYKZYNWKUMHMRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O4/c1-15(2)22-24(31)28-20-14-16(23(30)27-19-11-7-6-10-18(19)26)12-13-21(20)29(22)25(32)33-17-8-4-3-5-9-17/h3-5,8-9,12-15,18-19,22H,6-7,10-11,26H2,1-2H3,(H,27,30)(H,28,31).
What are the key properties of phenyl 6-[(2-aminocyclohexyl)carbamoyl]-3-oxo-2-propan-2-yl-2,4-dihydroquinoxaline-1-carboxylate?
phenyl 6-[(2-aminocyclohexyl)carbamoyl]-3-oxo-2-propan-2-yl-2,4-dihydroquinoxaline-1-carboxylate has a molecular weight of 450.54 g/mol, XLogP of 3.67, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 6-[(2-aminocyclohexyl)carbamoyl]-3-oxo-2-propan-2-yl-2,4-dihydroquinoxaline-1-carboxylate is sourced from PubChem (CID 23736294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).