1-cyclohex-3-en-1-yl-N-methyl-4-oxo-N-(2-propan-2-yloxyethyl)-5H-imidazo[1,5-a]quinoxaline-8-carboxamide

C23H28N4O3 — CID 163994390

IUPAC1-cyclohex-3-en-1-yl-N-methyl-4-oxo-N-(2-propan-2-yloxyethyl)-5H-imidazo[1,5-a]quinoxaline-8-carboxamide
SMILESCC(C)OCCN(C)C(=O)c1ccc2[nH]c(=O)c3cnc(C4CC=CCC4)n3c2c1
InChIInChI=1S/C23H28N4O3/c1-15(2)30-12-11-26(3)23(29)17-9-10-18-19(13-17)27-20(22(28)25-18)14-24-21(27)16-7-5-4-6-8-16/h4-5,9-10,13-16H,6-8,11-12H2,1-3H3,(H,25,28)
InChIKeyUDKQVXRSGZHNKQ-UHFFFAOYSA-N
MW408.50 g/mol
LogP3.50
Rot. Bonds6

About 1-cyclohex-3-en-1-yl-N-methyl-4-oxo-N-(2-propan-2-yloxyethyl)-5H-imidazo[1,5-a]quinoxaline-8-carboxamide

1-cyclohex-3-en-1-yl-N-methyl-4-oxo-N-(2-propan-2-yloxyethyl)-5H-imidazo[1,5-a]quinoxaline-8-carboxamide (PubChem CID 163994390) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is 1-cyclohex-3-en-1-yl-N-methyl-4-oxo-N-(2-propan-2-yloxyethyl)-5H-imidazo[1,5-a]quinoxaline-8-carboxamide.

Molecular Properties

Compound Name1-cyclohex-3-en-1-yl-N-methyl-4-oxo-N-(2-propan-2-yloxyethyl)-5H-imidazo[1,5-a]quinoxaline-8-carboxamide
PubChem CID163994390
Molecular FormulaC23H28N4O3
Molecular Weight408.50 g/mol
Exact Mass408.22
IUPAC Name1-cyclohex-3-en-1-yl-N-methyl-4-oxo-N-(2-propan-2-yloxyethyl)-5H-imidazo[1,5-a]quinoxaline-8-carboxamide
SMILESCC(C)OCCN(C)C(=O)c1ccc2[nH]c(=O)c3cnc(C4CC=CCC4)n3c2c1
InChIInChI=1S/C23H28N4O3/c1-15(2)30-12-11-26(3)23(29)17-9-10-18-19(13-17)27-20(22(28)25-18)14-24-21(27)16-7-5-4-6-8-16/h4-5,9-10,13-16H,6-8,11-12H2,1-3H3,(H,25,28)
InChIKeyUDKQVXRSGZHNKQ-UHFFFAOYSA-N
XLogP3.50
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohex-3-en-1-yl-N-methyl-4-oxo-N-(2-propan-2-yloxyethyl)-5H-imidazo[1,5-a]quinoxaline-8-carboxamide?
The IUPAC name of 1-cyclohex-3-en-1-yl-N-methyl-4-oxo-N-(2-propan-2-yloxyethyl)-5H-imidazo[1,5-a]quinoxaline-8-carboxamide (CID 163994390) is 1-cyclohex-3-en-1-yl-N-methyl-4-oxo-N-(2-propan-2-yloxyethyl)-5H-imidazo[1,5-a]quinoxaline-8-carboxamide.
What is the SMILES notation for 1-cyclohex-3-en-1-yl-N-methyl-4-oxo-N-(2-propan-2-yloxyethyl)-5H-imidazo[1,5-a]quinoxaline-8-carboxamide?
The canonical SMILES for 1-cyclohex-3-en-1-yl-N-methyl-4-oxo-N-(2-propan-2-yloxyethyl)-5H-imidazo[1,5-a]quinoxaline-8-carboxamide is CC(C)OCCN(C)C(=O)c1ccc2[nH]c(=O)c3cnc(C4CC=CCC4)n3c2c1.
What is the InChIKey of 1-cyclohex-3-en-1-yl-N-methyl-4-oxo-N-(2-propan-2-yloxyethyl)-5H-imidazo[1,5-a]quinoxaline-8-carboxamide?
The InChIKey is UDKQVXRSGZHNKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3/c1-15(2)30-12-11-26(3)23(29)17-9-10-18-19(13-17)27-20(22(28)25-18)14-24-21(27)16-7-5-4-6-8-16/h4-5,9-10,13-16H,6-8,11-12H2,1-3H3,(H,25,28).
What are the key properties of 1-cyclohex-3-en-1-yl-N-methyl-4-oxo-N-(2-propan-2-yloxyethyl)-5H-imidazo[1,5-a]quinoxaline-8-carboxamide?
1-cyclohex-3-en-1-yl-N-methyl-4-oxo-N-(2-propan-2-yloxyethyl)-5H-imidazo[1,5-a]quinoxaline-8-carboxamide has a molecular weight of 408.50 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohex-3-en-1-yl-N-methyl-4-oxo-N-(2-propan-2-yloxyethyl)-5H-imidazo[1,5-a]quinoxaline-8-carboxamide is sourced from PubChem (CID 163994390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).