8-chloro-1-cyclohexyl-N,N-diethyl-4-oxo-5H-imidazo[1,5-a]quinoxaline-7-carboxamide

C21H25ClN4O2 — CID 59198866

IUPAC8-chloro-1-cyclohexyl-N,N-diethyl-4-oxo-5H-imidazo[1,5-a]quinoxaline-7-carboxamide
SMILESCCN(CC)C(=O)c1cc2[nH]c(=O)c3cnc(C4CCCCC4)n3c2cc1Cl
InChIInChI=1S/C21H25ClN4O2/c1-3-25(4-2)21(28)14-10-16-17(11-15(14)22)26-18(20(27)24-16)12-23-19(26)13-8-6-5-7-9-13/h10-13H,3-9H2,1-2H3,(H,24,27)
InChIKeySRBTXBASBPITIQ-UHFFFAOYSA-N
MW400.91 g/mol
LogP4.36
Rot. Bonds4

About 8-chloro-1-cyclohexyl-N,N-diethyl-4-oxo-5H-imidazo[1,5-a]quinoxaline-7-carboxamide

8-chloro-1-cyclohexyl-N,N-diethyl-4-oxo-5H-imidazo[1,5-a]quinoxaline-7-carboxamide (PubChem CID 59198866) has the molecular formula C21H25ClN4O2 and a molecular weight of 400.91 g/mol. Its IUPAC name is 8-chloro-1-cyclohexyl-N,N-diethyl-4-oxo-5H-imidazo[1,5-a]quinoxaline-7-carboxamide.

Molecular Properties

Compound Name8-chloro-1-cyclohexyl-N,N-diethyl-4-oxo-5H-imidazo[1,5-a]quinoxaline-7-carboxamide
PubChem CID59198866
Molecular FormulaC21H25ClN4O2
Molecular Weight400.91 g/mol
Exact Mass400.17
IUPAC Name8-chloro-1-cyclohexyl-N,N-diethyl-4-oxo-5H-imidazo[1,5-a]quinoxaline-7-carboxamide
SMILESCCN(CC)C(=O)c1cc2[nH]c(=O)c3cnc(C4CCCCC4)n3c2cc1Cl
InChIInChI=1S/C21H25ClN4O2/c1-3-25(4-2)21(28)14-10-16-17(11-15(14)22)26-18(20(27)24-16)12-23-19(26)13-8-6-5-7-9-13/h10-13H,3-9H2,1-2H3,(H,24,27)
InChIKeySRBTXBASBPITIQ-UHFFFAOYSA-N
XLogP4.36
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.91
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-1-cyclohexyl-N,N-diethyl-4-oxo-5H-imidazo[1,5-a]quinoxaline-7-carboxamide?
The IUPAC name of 8-chloro-1-cyclohexyl-N,N-diethyl-4-oxo-5H-imidazo[1,5-a]quinoxaline-7-carboxamide (CID 59198866) is 8-chloro-1-cyclohexyl-N,N-diethyl-4-oxo-5H-imidazo[1,5-a]quinoxaline-7-carboxamide.
What is the SMILES notation for 8-chloro-1-cyclohexyl-N,N-diethyl-4-oxo-5H-imidazo[1,5-a]quinoxaline-7-carboxamide?
The canonical SMILES for 8-chloro-1-cyclohexyl-N,N-diethyl-4-oxo-5H-imidazo[1,5-a]quinoxaline-7-carboxamide is CCN(CC)C(=O)c1cc2[nH]c(=O)c3cnc(C4CCCCC4)n3c2cc1Cl.
What is the InChIKey of 8-chloro-1-cyclohexyl-N,N-diethyl-4-oxo-5H-imidazo[1,5-a]quinoxaline-7-carboxamide?
The InChIKey is SRBTXBASBPITIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN4O2/c1-3-25(4-2)21(28)14-10-16-17(11-15(14)22)26-18(20(27)24-16)12-23-19(26)13-8-6-5-7-9-13/h10-13H,3-9H2,1-2H3,(H,24,27).
What are the key properties of 8-chloro-1-cyclohexyl-N,N-diethyl-4-oxo-5H-imidazo[1,5-a]quinoxaline-7-carboxamide?
8-chloro-1-cyclohexyl-N,N-diethyl-4-oxo-5H-imidazo[1,5-a]quinoxaline-7-carboxamide has a molecular weight of 400.91 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-1-cyclohexyl-N,N-diethyl-4-oxo-5H-imidazo[1,5-a]quinoxaline-7-carboxamide is sourced from PubChem (CID 59198866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).