N-(4-aminocyclohexyl)-2-butan-2-yl-1-(3-methylbenzoyl)-3-oxo-2,4-dihydroquinoxaline-6-carboxamide

C27H34N4O3 — CID 23738063

IUPACN-(4-aminocyclohexyl)-2-butan-2-yl-1-(3-methylbenzoyl)-3-oxo-2,4-dihydroquinoxaline-6-carboxamide
SMILESCCC(C)C1C(=O)Nc2cc(C(=O)NC3CCC(N)CC3)ccc2N1C(=O)c1cccc(C)c1
InChIInChI=1S/C27H34N4O3/c1-4-17(3)24-26(33)30-22-15-18(25(32)29-21-11-9-20(28)10-12-21)8-13-23(22)31(24)27(34)19-7-5-6-16(2)14-19/h5-8,13-15,17,20-21,24H,4,9-12,28H2,1-3H3,(H,29,32)(H,30,33)
InChIKeyWYKHYOMWWQRZQH-UHFFFAOYSA-N
MW462.59 g/mol
LogP4.01
Rot. Bonds5

About N-(4-aminocyclohexyl)-2-butan-2-yl-1-(3-methylbenzoyl)-3-oxo-2,4-dihydroquinoxaline-6-carboxamide

N-(4-aminocyclohexyl)-2-butan-2-yl-1-(3-methylbenzoyl)-3-oxo-2,4-dihydroquinoxaline-6-carboxamide (PubChem CID 23738063) has the molecular formula C27H34N4O3 and a molecular weight of 462.59 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-2-butan-2-yl-1-(3-methylbenzoyl)-3-oxo-2,4-dihydroquinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-2-butan-2-yl-1-(3-methylbenzoyl)-3-oxo-2,4-dihydroquinoxaline-6-carboxamide
PubChem CID23738063
Molecular FormulaC27H34N4O3
Molecular Weight462.59 g/mol
Exact Mass462.26
IUPAC NameN-(4-aminocyclohexyl)-2-butan-2-yl-1-(3-methylbenzoyl)-3-oxo-2,4-dihydroquinoxaline-6-carboxamide
SMILESCCC(C)C1C(=O)Nc2cc(C(=O)NC3CCC(N)CC3)ccc2N1C(=O)c1cccc(C)c1
InChIInChI=1S/C27H34N4O3/c1-4-17(3)24-26(33)30-22-15-18(25(32)29-21-11-9-20(28)10-12-21)8-13-23(22)31(24)27(34)19-7-5-6-16(2)14-19/h5-8,13-15,17,20-21,24H,4,9-12,28H2,1-3H3,(H,29,32)(H,30,33)
InChIKeyWYKHYOMWWQRZQH-UHFFFAOYSA-N
XLogP4.01
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.59
LogP ≤ 54.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-(4-aminocyclohexyl)-2-butan-2-yl-1-(3-methylbenzoyl)-3-oxo-2,4-dihydroquinoxaline-6-carboxamide with MolForge

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Related Compounds

N-(4-aminocyclohexyl)-2-cyclohexyl-1-(3-methoxybenzoyl)-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide
CID 23793322
N-(3-amino-2,2-dimethylpropyl)-2-butan-2-yl-1-(cyclopropanecarbonyl)-3-oxo-2,4-dihydroquinoxaline-6-carboxamide
CID 23903118
(3S)-4-benzoyl-3-[(2S)-butan-2-yl]-7-methylsulfonyl-1,3-dihydroquinoxalin-2-one
CID 24730389
phenyl 6-(2-aminoethylcarbamoyl)-2-butan-2-yl-3-oxo-2,4-dihydroquinoxaline-1-carboxylate
CID 23939683
N-(4-aminocyclohexyl)-4-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-3-[(3-methylbenzoyl)amino]benzamide
CID 23827453
N-(4-aminocyclohexyl)-4-(4-benzoyl-1,4-diazepan-1-yl)-3-[(3-methylbenzoyl)amino]benzamide
CID 23990654
N-(4-bromocyclohexyl)-3-methylbenzamide
CID 114309120
3-methyl-N-piperidin-1-ium-4-ylbenzamide
CID 7412122
N-(4-aminocyclohexyl)-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 119474947
N-(azetidin-3-yl)-3-methylbenzamide
CID 66186058
N-cyclooctyl-3-methylbenzamide
CID 966011
N-(4-aminocyclohexyl)-1-(2,4-dichlorobenzoyl)-3-oxo-2,4-dihydroquinoxaline-6-carboxamide
CID 23963190

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-2-butan-2-yl-1-(3-methylbenzoyl)-3-oxo-2,4-dihydroquinoxaline-6-carboxamide?
The IUPAC name of N-(4-aminocyclohexyl)-2-butan-2-yl-1-(3-methylbenzoyl)-3-oxo-2,4-dihydroquinoxaline-6-carboxamide (CID 23738063) is N-(4-aminocyclohexyl)-2-butan-2-yl-1-(3-methylbenzoyl)-3-oxo-2,4-dihydroquinoxaline-6-carboxamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-2-butan-2-yl-1-(3-methylbenzoyl)-3-oxo-2,4-dihydroquinoxaline-6-carboxamide?
The canonical SMILES for N-(4-aminocyclohexyl)-2-butan-2-yl-1-(3-methylbenzoyl)-3-oxo-2,4-dihydroquinoxaline-6-carboxamide is CCC(C)C1C(=O)Nc2cc(C(=O)NC3CCC(N)CC3)ccc2N1C(=O)c1cccc(C)c1.
What is the InChIKey of N-(4-aminocyclohexyl)-2-butan-2-yl-1-(3-methylbenzoyl)-3-oxo-2,4-dihydroquinoxaline-6-carboxamide?
The InChIKey is WYKHYOMWWQRZQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O3/c1-4-17(3)24-26(33)30-22-15-18(25(32)29-21-11-9-20(28)10-12-21)8-13-23(22)31(24)27(34)19-7-5-6-16(2)14-19/h5-8,13-15,17,20-21,24H,4,9-12,28H2,1-3H3,(H,29,32)(H,30,33).
What are the key properties of N-(4-aminocyclohexyl)-2-butan-2-yl-1-(3-methylbenzoyl)-3-oxo-2,4-dihydroquinoxaline-6-carboxamide?
N-(4-aminocyclohexyl)-2-butan-2-yl-1-(3-methylbenzoyl)-3-oxo-2,4-dihydroquinoxaline-6-carboxamide has a molecular weight of 462.59 g/mol, XLogP of 4.01, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-2-butan-2-yl-1-(3-methylbenzoyl)-3-oxo-2,4-dihydroquinoxaline-6-carboxamide is sourced from PubChem (CID 23738063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).