N-(4-aminocyclohexyl)-1-(2,4-dichlorobenzoyl)-3-oxo-2,4-dihydroquinoxaline-6-carboxamide

C22H22Cl2N4O3 — CID 23963190

IUPACN-(4-aminocyclohexyl)-1-(2,4-dichlorobenzoyl)-3-oxo-2,4-dihydroquinoxaline-6-carboxamide
SMILESNC1CCC(NC(=O)c2ccc3c(c2)NC(=O)CN3C(=O)c2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C22H22Cl2N4O3/c23-13-2-7-16(17(24)10-13)22(31)28-11-20(29)27-18-9-12(1-8-19(18)28)21(30)26-15-5-3-14(25)4-6-15/h1-2,7-10,14-15H,3-6,11,25H2,(H,26,30)(H,27,29)
InChIKeyJPDZNKPUBAQOEJ-UHFFFAOYSA-N
MW461.35 g/mol
LogP3.59
Rot. Bonds3

About N-(4-aminocyclohexyl)-1-(2,4-dichlorobenzoyl)-3-oxo-2,4-dihydroquinoxaline-6-carboxamide

N-(4-aminocyclohexyl)-1-(2,4-dichlorobenzoyl)-3-oxo-2,4-dihydroquinoxaline-6-carboxamide (PubChem CID 23963190) has the molecular formula C22H22Cl2N4O3 and a molecular weight of 461.35 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-1-(2,4-dichlorobenzoyl)-3-oxo-2,4-dihydroquinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-1-(2,4-dichlorobenzoyl)-3-oxo-2,4-dihydroquinoxaline-6-carboxamide
PubChem CID23963190
Molecular FormulaC22H22Cl2N4O3
Molecular Weight461.35 g/mol
Exact Mass460.11
IUPAC NameN-(4-aminocyclohexyl)-1-(2,4-dichlorobenzoyl)-3-oxo-2,4-dihydroquinoxaline-6-carboxamide
SMILESNC1CCC(NC(=O)c2ccc3c(c2)NC(=O)CN3C(=O)c2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C22H22Cl2N4O3/c23-13-2-7-16(17(24)10-13)22(31)28-11-20(29)27-18-9-12(1-8-19(18)28)21(30)26-15-5-3-14(25)4-6-15/h1-2,7-10,14-15H,3-6,11,25H2,(H,26,30)(H,27,29)
InChIKeyJPDZNKPUBAQOEJ-UHFFFAOYSA-N
XLogP3.59
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.35
LogP ≤ 53.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-aminocyclohexyl)-1-(cyclohexanecarbonyl)-3-oxo-2,4-dihydroquinoxaline-6-carboxamide
CID 23741539
N-(4-aminocyclohexyl)-1-(3-cyclopentylpropanoyl)-2-(2,4-dichlorophenyl)-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide
CID 23991038
N-(4-aminocyclohexyl)-1-[2-(4-chlorophenoxy)acetyl]-2-cyclohexyl-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide
CID 23875686
N-(3-amino-2,2-dimethylpropyl)-1-(4-chlorobenzoyl)-3-oxo-2,4-dihydroquinoxaline-6-carboxamide
CID 23824577
N-(4-aminocyclohexyl)-4-chlorobenzamide;hydrochloride
CID 86277368
N-(2-aminocyclohexyl)-1-(4-tert-butylbenzoyl)-3-oxo-2,4-dihydroquinoxaline-6-carboxamide
CID 23849249
N-(4-aminocyclohexyl)-3-chlorobenzamide
CID 62313478
4-(2,4-dichlorobenzoyl)piperazine-2,6-dione
CID 66085866
N-(4-aminocyclohexyl)-4-chloro-2-fluorobenzamide
CID 62313125
4-(4-bromo-2-chlorobenzoyl)-1,3-dihydroquinoxalin-2-one
CID 61059136
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
N-(4-aminocyclohexyl)-3-oxo-2,4-dihydro-1H-quinoline-6-carboxamide
CID 149312118

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-1-(2,4-dichlorobenzoyl)-3-oxo-2,4-dihydroquinoxaline-6-carboxamide?
The IUPAC name of N-(4-aminocyclohexyl)-1-(2,4-dichlorobenzoyl)-3-oxo-2,4-dihydroquinoxaline-6-carboxamide (CID 23963190) is N-(4-aminocyclohexyl)-1-(2,4-dichlorobenzoyl)-3-oxo-2,4-dihydroquinoxaline-6-carboxamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-1-(2,4-dichlorobenzoyl)-3-oxo-2,4-dihydroquinoxaline-6-carboxamide?
The canonical SMILES for N-(4-aminocyclohexyl)-1-(2,4-dichlorobenzoyl)-3-oxo-2,4-dihydroquinoxaline-6-carboxamide is NC1CCC(NC(=O)c2ccc3c(c2)NC(=O)CN3C(=O)c2ccc(Cl)cc2Cl)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-1-(2,4-dichlorobenzoyl)-3-oxo-2,4-dihydroquinoxaline-6-carboxamide?
The InChIKey is JPDZNKPUBAQOEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22Cl2N4O3/c23-13-2-7-16(17(24)10-13)22(31)28-11-20(29)27-18-9-12(1-8-19(18)28)21(30)26-15-5-3-14(25)4-6-15/h1-2,7-10,14-15H,3-6,11,25H2,(H,26,30)(H,27,29).
What are the key properties of N-(4-aminocyclohexyl)-1-(2,4-dichlorobenzoyl)-3-oxo-2,4-dihydroquinoxaline-6-carboxamide?
N-(4-aminocyclohexyl)-1-(2,4-dichlorobenzoyl)-3-oxo-2,4-dihydroquinoxaline-6-carboxamide has a molecular weight of 461.35 g/mol, XLogP of 3.59, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-1-(2,4-dichlorobenzoyl)-3-oxo-2,4-dihydroquinoxaline-6-carboxamide is sourced from PubChem (CID 23963190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).