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

C22H30N4O3 — CID 23741539

IUPACN-(4-aminocyclohexyl)-1-(cyclohexanecarbonyl)-3-oxo-2,4-dihydroquinoxaline-6-carboxamide
SMILESNC1CCC(NC(=O)c2ccc3c(c2)NC(=O)CN3C(=O)C2CCCCC2)CC1
InChIInChI=1S/C22H30N4O3/c23-16-7-9-17(10-8-16)24-21(28)15-6-11-19-18(12-15)25-20(27)13-26(19)22(29)14-4-2-1-3-5-14/h6,11-12,14,16-17H,1-5,7-10,13,23H2,(H,24,28)(H,25,27)
InChIKeyXHFQZWQVIFCXEE-UHFFFAOYSA-N
MW398.51 g/mol
LogP2.55
Rot. Bonds3

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

N-(4-aminocyclohexyl)-1-(cyclohexanecarbonyl)-3-oxo-2,4-dihydroquinoxaline-6-carboxamide (PubChem CID 23741539) has the molecular formula C22H30N4O3 and a molecular weight of 398.51 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-1-(cyclohexanecarbonyl)-3-oxo-2,4-dihydroquinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-1-(cyclohexanecarbonyl)-3-oxo-2,4-dihydroquinoxaline-6-carboxamide
PubChem CID23741539
Molecular FormulaC22H30N4O3
Molecular Weight398.51 g/mol
Exact Mass398.23
IUPAC NameN-(4-aminocyclohexyl)-1-(cyclohexanecarbonyl)-3-oxo-2,4-dihydroquinoxaline-6-carboxamide
SMILESNC1CCC(NC(=O)c2ccc3c(c2)NC(=O)CN3C(=O)C2CCCCC2)CC1
InChIInChI=1S/C22H30N4O3/c23-16-7-9-17(10-8-16)24-21(28)15-6-11-19-18(12-15)25-20(27)13-26(19)22(29)14-4-2-1-3-5-14/h6,11-12,14,16-17H,1-5,7-10,13,23H2,(H,24,28)(H,25,27)
InChIKeyXHFQZWQVIFCXEE-UHFFFAOYSA-N
XLogP2.55
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-aminocyclohexyl)-1-(2,4-dichlorobenzoyl)-3-oxo-2,4-dihydroquinoxaline-6-carboxamide
CID 23963190
N-(4-aminocyclohexyl)-1-[2-(4-chlorophenoxy)acetyl]-2-cyclohexyl-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide
CID 23875686
N-(4-aminocyclohexyl)-2-cyclohexyl-1-(3-methoxybenzoyl)-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide
CID 23793322
N-(2-aminocyclohexyl)-1-(4-tert-butylbenzoyl)-3-oxo-2,4-dihydroquinoxaline-6-carboxamide
CID 23849249
N-cycloheptyl-6-oxo-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxaline-3-carboxamide
CID 46349891
N-(4-aminocyclohexyl)-1-(3-cyclopentylpropanoyl)-2-(2,4-dichlorophenyl)-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide
CID 23991038
N-cyclopentyl-1-(cyclopropanecarbonyl)-2,3-dihydroindole-5-carboxamide
CID 53080886
N-(4-aminocyclohexyl)-3-hydroxy-4-methylbenzamide
CID 43653129
N-(2-aminocyclohexyl)-1-(cyclopropanecarbonyl)-2-(4-methylphenyl)-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide
CID 23851572
N-cyclopentyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 60655442
N-(4-aminocyclohexyl)-3-oxo-2,4-dihydro-1H-quinoline-6-carboxamide
CID 149312118
4-N-(4-aminocyclohexyl)benzene-1,4-dicarboxamide;hydrochloride
CID 119478160

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-1-(cyclohexanecarbonyl)-3-oxo-2,4-dihydroquinoxaline-6-carboxamide?
The IUPAC name of N-(4-aminocyclohexyl)-1-(cyclohexanecarbonyl)-3-oxo-2,4-dihydroquinoxaline-6-carboxamide (CID 23741539) is N-(4-aminocyclohexyl)-1-(cyclohexanecarbonyl)-3-oxo-2,4-dihydroquinoxaline-6-carboxamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-1-(cyclohexanecarbonyl)-3-oxo-2,4-dihydroquinoxaline-6-carboxamide?
The canonical SMILES for N-(4-aminocyclohexyl)-1-(cyclohexanecarbonyl)-3-oxo-2,4-dihydroquinoxaline-6-carboxamide is NC1CCC(NC(=O)c2ccc3c(c2)NC(=O)CN3C(=O)C2CCCCC2)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-1-(cyclohexanecarbonyl)-3-oxo-2,4-dihydroquinoxaline-6-carboxamide?
The InChIKey is XHFQZWQVIFCXEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O3/c23-16-7-9-17(10-8-16)24-21(28)15-6-11-19-18(12-15)25-20(27)13-26(19)22(29)14-4-2-1-3-5-14/h6,11-12,14,16-17H,1-5,7-10,13,23H2,(H,24,28)(H,25,27).
What are the key properties of N-(4-aminocyclohexyl)-1-(cyclohexanecarbonyl)-3-oxo-2,4-dihydroquinoxaline-6-carboxamide?
N-(4-aminocyclohexyl)-1-(cyclohexanecarbonyl)-3-oxo-2,4-dihydroquinoxaline-6-carboxamide has a molecular weight of 398.51 g/mol, XLogP of 2.55, 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-(cyclohexanecarbonyl)-3-oxo-2,4-dihydroquinoxaline-6-carboxamide is sourced from PubChem (CID 23741539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).