N-butyl-N,8-dimethyl-4-oxo-1-pentan-3-yl-5H-imidazo[1,5-a]quinoxaline-7-carboxamide

C22H30N4O2 — CID 143692592

IUPACN-butyl-N,8-dimethyl-4-oxo-1-pentan-3-yl-5H-imidazo[1,5-a]quinoxaline-7-carboxamide
SMILESCCCCN(C)C(=O)c1cc2[nH]c(=O)c3cnc(C(CC)CC)n3c2cc1C
InChIInChI=1S/C22H30N4O2/c1-6-9-10-25(5)22(28)16-12-17-18(11-14(16)4)26-19(21(27)24-17)13-23-20(26)15(7-2)8-3/h11-13,15H,6-10H2,1-5H3,(H,24,27)
InChIKeyAMBQAERPMVDLCU-UHFFFAOYSA-N
MW382.51 g/mol
LogP4.26
Rot. Bonds7

About N-butyl-N,8-dimethyl-4-oxo-1-pentan-3-yl-5H-imidazo[1,5-a]quinoxaline-7-carboxamide

N-butyl-N,8-dimethyl-4-oxo-1-pentan-3-yl-5H-imidazo[1,5-a]quinoxaline-7-carboxamide (PubChem CID 143692592) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is N-butyl-N,8-dimethyl-4-oxo-1-pentan-3-yl-5H-imidazo[1,5-a]quinoxaline-7-carboxamide.

Molecular Properties

Compound NameN-butyl-N,8-dimethyl-4-oxo-1-pentan-3-yl-5H-imidazo[1,5-a]quinoxaline-7-carboxamide
PubChem CID143692592
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC NameN-butyl-N,8-dimethyl-4-oxo-1-pentan-3-yl-5H-imidazo[1,5-a]quinoxaline-7-carboxamide
SMILESCCCCN(C)C(=O)c1cc2[nH]c(=O)c3cnc(C(CC)CC)n3c2cc1C
InChIInChI=1S/C22H30N4O2/c1-6-9-10-25(5)22(28)16-12-17-18(11-14(16)4)26-19(21(27)24-17)13-23-20(26)15(7-2)8-3/h11-13,15H,6-10H2,1-5H3,(H,24,27)
InChIKeyAMBQAERPMVDLCU-UHFFFAOYSA-N
XLogP4.26
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-butyl-N,8-dimethyl-4-oxo-1-pentan-3-yl-5H-imidazo[1,5-a]quinoxaline-7-carboxamide with MolForge

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Related Compounds

N-(2-methoxyethyl)-N-methyl-4-oxo-1-pentan-3-yl-5H-imidazo[1,5-a]quinoxaline-8-carboxamide
CID 59198681
8-chloro-N-(2-hydroxyethyl)-N-methyl-4-oxo-1-phenyl-5H-imidazo[1,5-a]quinoxaline-7-carboxamide
CID 68702977
1-cyclohexyl-N-methyl-4-oxo-N-propyl-5H-imidazo[1,5-a]quinoxaline-7-carboxamide
CID 59198763
5-bromo-N-butyl-N,2-dimethylbenzamide
CID 65306915
4-amino-N-butyl-N,6-dimethylpyridine-3-carboxamide
CID 81234919
N-butyl-N,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide
CID 110855743
N-butyl-N,3-dimethylpyridine-4-carboxamide
CID 110855737
N-butyl-N,2-dimethyl-1,3-dioxoisoindole-5-carboxamide
CID 32906535
1-heptan-4-yl-7-methyl-4-oxo-5H-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxylic acid
CID 70225894
1-(azepan-1-yl)-8-ethoxy-N,N-dimethyl-4-oxo-5H-imidazo[1,5-a]quinoxaline-7-carboxamide
CID 59198629
N-butyl-2-(ethylamino)-5-fluoro-N-methylpyridine-3-carboxamide
CID 114034849
N-butyl-2-methoxy-N,4,5-trimethylbenzamide
CID 110761549

Frequently Asked Questions

What is the IUPAC name of N-butyl-N,8-dimethyl-4-oxo-1-pentan-3-yl-5H-imidazo[1,5-a]quinoxaline-7-carboxamide?
The IUPAC name of N-butyl-N,8-dimethyl-4-oxo-1-pentan-3-yl-5H-imidazo[1,5-a]quinoxaline-7-carboxamide (CID 143692592) is N-butyl-N,8-dimethyl-4-oxo-1-pentan-3-yl-5H-imidazo[1,5-a]quinoxaline-7-carboxamide.
What is the SMILES notation for N-butyl-N,8-dimethyl-4-oxo-1-pentan-3-yl-5H-imidazo[1,5-a]quinoxaline-7-carboxamide?
The canonical SMILES for N-butyl-N,8-dimethyl-4-oxo-1-pentan-3-yl-5H-imidazo[1,5-a]quinoxaline-7-carboxamide is CCCCN(C)C(=O)c1cc2[nH]c(=O)c3cnc(C(CC)CC)n3c2cc1C.
What is the InChIKey of N-butyl-N,8-dimethyl-4-oxo-1-pentan-3-yl-5H-imidazo[1,5-a]quinoxaline-7-carboxamide?
The InChIKey is AMBQAERPMVDLCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2/c1-6-9-10-25(5)22(28)16-12-17-18(11-14(16)4)26-19(21(27)24-17)13-23-20(26)15(7-2)8-3/h11-13,15H,6-10H2,1-5H3,(H,24,27).
What are the key properties of N-butyl-N,8-dimethyl-4-oxo-1-pentan-3-yl-5H-imidazo[1,5-a]quinoxaline-7-carboxamide?
N-butyl-N,8-dimethyl-4-oxo-1-pentan-3-yl-5H-imidazo[1,5-a]quinoxaline-7-carboxamide has a molecular weight of 382.51 g/mol, XLogP of 4.26, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N,8-dimethyl-4-oxo-1-pentan-3-yl-5H-imidazo[1,5-a]quinoxaline-7-carboxamide is sourced from PubChem (CID 143692592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).