1-cyclohexyl-8-(4-methylpiperazine-1-carbonyl)-5H-imidazo[1,5-a]quinoxalin-4-one

C22H27N5O2 — CID 59198890

IUPAC1-cyclohexyl-8-(4-methylpiperazine-1-carbonyl)-5H-imidazo[1,5-a]quinoxalin-4-one
SMILESCN1CCN(C(=O)c2ccc3[nH]c(=O)c4cnc(C5CCCCC5)n4c3c2)CC1
InChIInChI=1S/C22H27N5O2/c1-25-9-11-26(12-10-25)22(29)16-7-8-17-18(13-16)27-19(21(28)24-17)14-23-20(27)15-5-3-2-4-6-15/h7-8,13-15H,2-6,9-12H2,1H3,(H,24,28)
InChIKeyVVXNDYHLNRBTQD-UHFFFAOYSA-N
MW393.49 g/mol
LogP2.61
Rot. Bonds2

About 1-cyclohexyl-8-(4-methylpiperazine-1-carbonyl)-5H-imidazo[1,5-a]quinoxalin-4-one

1-cyclohexyl-8-(4-methylpiperazine-1-carbonyl)-5H-imidazo[1,5-a]quinoxalin-4-one (PubChem CID 59198890) has the molecular formula C22H27N5O2 and a molecular weight of 393.49 g/mol. Its IUPAC name is 1-cyclohexyl-8-(4-methylpiperazine-1-carbonyl)-5H-imidazo[1,5-a]quinoxalin-4-one.

Molecular Properties

Compound Name1-cyclohexyl-8-(4-methylpiperazine-1-carbonyl)-5H-imidazo[1,5-a]quinoxalin-4-one
PubChem CID59198890
Molecular FormulaC22H27N5O2
Molecular Weight393.49 g/mol
Exact Mass393.22
IUPAC Name1-cyclohexyl-8-(4-methylpiperazine-1-carbonyl)-5H-imidazo[1,5-a]quinoxalin-4-one
SMILESCN1CCN(C(=O)c2ccc3[nH]c(=O)c4cnc(C5CCCCC5)n4c3c2)CC1
InChIInChI=1S/C22H27N5O2/c1-25-9-11-26(12-10-25)22(29)16-7-8-17-18(13-16)27-19(21(28)24-17)14-23-20(27)15-5-3-2-4-6-15/h7-8,13-15H,2-6,9-12H2,1H3,(H,24,28)
InChIKeyVVXNDYHLNRBTQD-UHFFFAOYSA-N
XLogP2.61
TPSA73.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclohexyl-8-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-5H-imidazo[1,5-a]quinoxalin-4-one
CID 59198755
1-cyclohexyl-N-methyl-4-oxo-N-(trifluoromethyl)-5H-imidazo[1,5-a]quinoxaline-8-carboxamide
CID 24989405
(1-cyclohexyl-4-oxo-5H-imidazo[1,5-a]quinoxalin-8-yl) hydrogen carbonate
CID 118872383
1-cyclohexyl-N-(2-ethoxyethyl)-N-methyl-4-oxo-5H-imidazo[1,5-a]quinoxaline-8-carboxamide
CID 59198555
1-cyclohexyl-7-(4-methylpiperazin-1-yl)sulfanyl-5H-imidazo[1,5-a]quinoxalin-4-one
CID 143692602
1-cyclohexyl-8-[4-(2-hydroxyethyl)piperidine-1-carbonyl]-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one
CID 59198810
1-cyclohexyl-N-methyl-4-oxo-N-propyl-5H-imidazo[1,5-a]quinoxaline-7-carboxamide
CID 59198763
8-chloro-1-cyclohexyl-N,N-diethyl-4-oxo-5H-imidazo[1,5-a]quinoxaline-7-carboxamide
CID 59198866
8-methyl-1-(oxan-3-yl)-4-oxo-5H-imidazo[1,5-a]quinoxaline-7-carboxylic acid
CID 58574974
7-(4-methylpiperazine-1-carbonyl)-5H-pyrrolo[1,2-a]quinoxalin-4-one
CID 59587728
1-cyclohexyl-7-(3,5-dimethylpyrazol-1-yl)-5H-imidazo[1,5-a]quinoxalin-4-one
CID 59198759
6-[8-methyl-1-(oxan-4-yl)-4-oxo-5H-imidazo[1,5-a]quinoxaline-7-carbonyl]-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-3-one
CID 58575395

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-8-(4-methylpiperazine-1-carbonyl)-5H-imidazo[1,5-a]quinoxalin-4-one?
The IUPAC name of 1-cyclohexyl-8-(4-methylpiperazine-1-carbonyl)-5H-imidazo[1,5-a]quinoxalin-4-one (CID 59198890) is 1-cyclohexyl-8-(4-methylpiperazine-1-carbonyl)-5H-imidazo[1,5-a]quinoxalin-4-one.
What is the SMILES notation for 1-cyclohexyl-8-(4-methylpiperazine-1-carbonyl)-5H-imidazo[1,5-a]quinoxalin-4-one?
The canonical SMILES for 1-cyclohexyl-8-(4-methylpiperazine-1-carbonyl)-5H-imidazo[1,5-a]quinoxalin-4-one is CN1CCN(C(=O)c2ccc3[nH]c(=O)c4cnc(C5CCCCC5)n4c3c2)CC1.
What is the InChIKey of 1-cyclohexyl-8-(4-methylpiperazine-1-carbonyl)-5H-imidazo[1,5-a]quinoxalin-4-one?
The InChIKey is VVXNDYHLNRBTQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O2/c1-25-9-11-26(12-10-25)22(29)16-7-8-17-18(13-16)27-19(21(28)24-17)14-23-20(27)15-5-3-2-4-6-15/h7-8,13-15H,2-6,9-12H2,1H3,(H,24,28).
What are the key properties of 1-cyclohexyl-8-(4-methylpiperazine-1-carbonyl)-5H-imidazo[1,5-a]quinoxalin-4-one?
1-cyclohexyl-8-(4-methylpiperazine-1-carbonyl)-5H-imidazo[1,5-a]quinoxalin-4-one has a molecular weight of 393.49 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-8-(4-methylpiperazine-1-carbonyl)-5H-imidazo[1,5-a]quinoxalin-4-one is sourced from PubChem (CID 59198890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).