1-cyclohexyl-8-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-5H-imidazo[1,5-a]quinoxalin-4-one

C24H31N5O2 — CID 59198755

IUPAC1-cyclohexyl-8-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-5H-imidazo[1,5-a]quinoxalin-4-one
SMILESCN1CCN(C(=O)CCc2ccc3[nH]c(=O)c4cnc(C5CCCCC5)n4c3c2)CC1
InChIInChI=1S/C24H31N5O2/c1-27-11-13-28(14-12-27)22(30)10-8-17-7-9-19-20(15-17)29-21(24(31)26-19)16-25-23(29)18-5-3-2-4-6-18/h7,9,15-16,18H,2-6,8,10-14H2,1H3,(H,26,31)
InChIKeyXSRDXHWWRPRQRA-UHFFFAOYSA-N
MW421.55 g/mol
LogP2.93
Rot. Bonds4

About 1-cyclohexyl-8-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-5H-imidazo[1,5-a]quinoxalin-4-one

1-cyclohexyl-8-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-5H-imidazo[1,5-a]quinoxalin-4-one (PubChem CID 59198755) has the molecular formula C24H31N5O2 and a molecular weight of 421.55 g/mol. Its IUPAC name is 1-cyclohexyl-8-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-5H-imidazo[1,5-a]quinoxalin-4-one.

Molecular Properties

Compound Name1-cyclohexyl-8-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-5H-imidazo[1,5-a]quinoxalin-4-one
PubChem CID59198755
Molecular FormulaC24H31N5O2
Molecular Weight421.55 g/mol
Exact Mass421.25
IUPAC Name1-cyclohexyl-8-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-5H-imidazo[1,5-a]quinoxalin-4-one
SMILESCN1CCN(C(=O)CCc2ccc3[nH]c(=O)c4cnc(C5CCCCC5)n4c3c2)CC1
InChIInChI=1S/C24H31N5O2/c1-27-11-13-28(14-12-27)22(30)10-8-17-7-9-19-20(15-17)29-21(24(31)26-19)16-25-23(29)18-5-3-2-4-6-18/h7,9,15-16,18H,2-6,8,10-14H2,1H3,(H,26,31)
InChIKeyXSRDXHWWRPRQRA-UHFFFAOYSA-N
XLogP2.93
TPSA73.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.55
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-cyclohexyl-8-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-5H-imidazo[1,5-a]quinoxalin-4-one with MolForge

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Related Compounds

1-cyclohexyl-8-(4-methylpiperazine-1-carbonyl)-5H-imidazo[1,5-a]quinoxalin-4-one
CID 59198890
(1-cyclohexyl-4-oxo-5H-imidazo[1,5-a]quinoxalin-8-yl) hydrogen carbonate
CID 118872383
1-cyclohexyl-N-methyl-4-oxo-N-(trifluoromethyl)-5H-imidazo[1,5-a]quinoxaline-8-carboxamide
CID 24989405
3-methyl-6-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-1H-quinolin-2-one
CID 110390077
1-cyclohexyl-N-(2-ethoxyethyl)-N-methyl-4-oxo-5H-imidazo[1,5-a]quinoxaline-8-carboxamide
CID 59198555
(E)-3-(1-cyclohexyl-4-oxo-5H-imidazo[1,5-a]quinoxalin-7-yl)prop-2-enoic acid
CID 59198720
1-cyclohexyl-N-methyl-4-oxo-N-(pyridin-2-ylmethyl)-5H-imidazo[1,5-a]quinoxaline-8-carboxamide
CID 59198927
1-cyclohexyl-4-oxo-N-pyridin-3-yl-5H-imidazo[1,5-a]quinoxaline-8-carboxamide
CID 59198773
8-chloro-1-cyclohexyl-N,N-diethyl-4-oxo-5H-imidazo[1,5-a]quinoxaline-7-carboxamide
CID 59198866
1-cyclohexyl-7-(3,5-dimethylpyrazol-1-yl)-5H-imidazo[1,5-a]quinoxalin-4-one
CID 59198759
3-methyl-5-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-1,3-benzoxazol-2-one
CID 110683403
1-cyclohexyl-N,N-dimethyl-4-oxo-8-(trifluoromethoxy)-5H-imidazo[1,5-a]quinoxaline-7-carboxamide
CID 24990170

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-8-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-5H-imidazo[1,5-a]quinoxalin-4-one?
The IUPAC name of 1-cyclohexyl-8-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-5H-imidazo[1,5-a]quinoxalin-4-one (CID 59198755) is 1-cyclohexyl-8-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-5H-imidazo[1,5-a]quinoxalin-4-one.
What is the SMILES notation for 1-cyclohexyl-8-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-5H-imidazo[1,5-a]quinoxalin-4-one?
The canonical SMILES for 1-cyclohexyl-8-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-5H-imidazo[1,5-a]quinoxalin-4-one is CN1CCN(C(=O)CCc2ccc3[nH]c(=O)c4cnc(C5CCCCC5)n4c3c2)CC1.
What is the InChIKey of 1-cyclohexyl-8-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-5H-imidazo[1,5-a]quinoxalin-4-one?
The InChIKey is XSRDXHWWRPRQRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O2/c1-27-11-13-28(14-12-27)22(30)10-8-17-7-9-19-20(15-17)29-21(24(31)26-19)16-25-23(29)18-5-3-2-4-6-18/h7,9,15-16,18H,2-6,8,10-14H2,1H3,(H,26,31).
What are the key properties of 1-cyclohexyl-8-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-5H-imidazo[1,5-a]quinoxalin-4-one?
1-cyclohexyl-8-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-5H-imidazo[1,5-a]quinoxalin-4-one has a molecular weight of 421.55 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-8-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-5H-imidazo[1,5-a]quinoxalin-4-one is sourced from PubChem (CID 59198755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).