1-(azepan-1-yl)-8-ethoxy-N,N-dimethyl-4-oxo-5H-imidazo[1,5-a]quinoxaline-7-carboxamide

C21H27N5O3 — CID 59198629

IUPAC1-(azepan-1-yl)-8-ethoxy-N,N-dimethyl-4-oxo-5H-imidazo[1,5-a]quinoxaline-7-carboxamide
SMILESCCOc1cc2c(cc1C(=O)N(C)C)[nH]c(=O)c1cnc(N3CCCCCC3)n12
InChIInChI=1S/C21H27N5O3/c1-4-29-18-12-16-15(11-14(18)20(28)24(2)3)23-19(27)17-13-22-21(26(16)17)25-9-7-5-6-8-10-25/h11-13H,4-10H2,1-3H3,(H,23,27)
InChIKeyZVXDJCWKRHCCDW-UHFFFAOYSA-N
MW397.48 g/mol
LogP2.66
Rot. Bonds4

About 1-(azepan-1-yl)-8-ethoxy-N,N-dimethyl-4-oxo-5H-imidazo[1,5-a]quinoxaline-7-carboxamide

1-(azepan-1-yl)-8-ethoxy-N,N-dimethyl-4-oxo-5H-imidazo[1,5-a]quinoxaline-7-carboxamide (PubChem CID 59198629) has the molecular formula C21H27N5O3 and a molecular weight of 397.48 g/mol. Its IUPAC name is 1-(azepan-1-yl)-8-ethoxy-N,N-dimethyl-4-oxo-5H-imidazo[1,5-a]quinoxaline-7-carboxamide.

Molecular Properties

Compound Name1-(azepan-1-yl)-8-ethoxy-N,N-dimethyl-4-oxo-5H-imidazo[1,5-a]quinoxaline-7-carboxamide
PubChem CID59198629
Molecular FormulaC21H27N5O3
Molecular Weight397.48 g/mol
Exact Mass397.21
IUPAC Name1-(azepan-1-yl)-8-ethoxy-N,N-dimethyl-4-oxo-5H-imidazo[1,5-a]quinoxaline-7-carboxamide
SMILESCCOc1cc2c(cc1C(=O)N(C)C)[nH]c(=O)c1cnc(N3CCCCCC3)n12
InChIInChI=1S/C21H27N5O3/c1-4-29-18-12-16-15(11-14(18)20(28)24(2)3)23-19(27)17-13-22-21(26(16)17)25-9-7-5-6-8-10-25/h11-13H,4-10H2,1-3H3,(H,23,27)
InChIKeyZVXDJCWKRHCCDW-UHFFFAOYSA-N
XLogP2.66
TPSA82.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(azepan-1-yl)-8-ethoxy-N,N-dimethyl-4-oxo-5H-imidazo[1,5-a]quinoxaline-7-carboxamide with MolForge

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Related Compounds

7-methoxy-N,N-dimethyl-4-oxo-1-piperidin-1-yl-5H-imidazo[1,5-a]quinoxaline-8-carboxamide
CID 59198715
7-methoxy-N,N-dimethyl-4-oxo-1-pyrrolidin-1-yl-5H-imidazo[1,5-a]quinoxaline-8-carboxamide
CID 59198727
1-cyclohexyl-N,N-dimethyl-4-oxo-8-(trifluoromethoxy)-5H-imidazo[1,5-a]quinoxaline-7-carboxamide
CID 24990170
8-chloro-1-cyclohexyl-N,N-diethyl-4-oxo-5H-imidazo[1,5-a]quinoxaline-7-carboxamide
CID 59198866
8-chloro-4-oxo-1-pentan-3-yl-5H-imidazo[1,5-a]quinoxaline-7-carboxylic acid
CID 59198938
1-cyclohexyl-N-(2-ethoxyethyl)-N-methyl-4-oxo-5H-imidazo[1,5-a]quinoxaline-8-carboxamide
CID 59198555
N-butyl-N,8-dimethyl-4-oxo-1-pentan-3-yl-5H-imidazo[1,5-a]quinoxaline-7-carboxamide
CID 143692592
1-cyclohexyl-N-methyl-4-oxo-N-propyl-5H-imidazo[1,5-a]quinoxaline-7-carboxamide
CID 59198763
8-chloro-N,1-bis(cyclohexylmethyl)-4-oxo-5H-imidazo[1,5-a]quinoxaline-7-carboxamide
CID 90947379
8-chloro-N-(2-hydroxyethyl)-N-methyl-4-oxo-1-phenyl-5H-imidazo[1,5-a]quinoxaline-7-carboxamide
CID 68702977
methyl 4,5-diethoxy-2-pyrrolidin-1-ylbenzoate
CID 168515148
8-(methoxymethyl)-4-oxo-1-(oxolan-3-yl)-5H-imidazo[1,5-a]quinoxaline-7-carboxylic acid
CID 86701152

Frequently Asked Questions

What is the IUPAC name of 1-(azepan-1-yl)-8-ethoxy-N,N-dimethyl-4-oxo-5H-imidazo[1,5-a]quinoxaline-7-carboxamide?
The IUPAC name of 1-(azepan-1-yl)-8-ethoxy-N,N-dimethyl-4-oxo-5H-imidazo[1,5-a]quinoxaline-7-carboxamide (CID 59198629) is 1-(azepan-1-yl)-8-ethoxy-N,N-dimethyl-4-oxo-5H-imidazo[1,5-a]quinoxaline-7-carboxamide.
What is the SMILES notation for 1-(azepan-1-yl)-8-ethoxy-N,N-dimethyl-4-oxo-5H-imidazo[1,5-a]quinoxaline-7-carboxamide?
The canonical SMILES for 1-(azepan-1-yl)-8-ethoxy-N,N-dimethyl-4-oxo-5H-imidazo[1,5-a]quinoxaline-7-carboxamide is CCOc1cc2c(cc1C(=O)N(C)C)[nH]c(=O)c1cnc(N3CCCCCC3)n12.
What is the InChIKey of 1-(azepan-1-yl)-8-ethoxy-N,N-dimethyl-4-oxo-5H-imidazo[1,5-a]quinoxaline-7-carboxamide?
The InChIKey is ZVXDJCWKRHCCDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O3/c1-4-29-18-12-16-15(11-14(18)20(28)24(2)3)23-19(27)17-13-22-21(26(16)17)25-9-7-5-6-8-10-25/h11-13H,4-10H2,1-3H3,(H,23,27).
What are the key properties of 1-(azepan-1-yl)-8-ethoxy-N,N-dimethyl-4-oxo-5H-imidazo[1,5-a]quinoxaline-7-carboxamide?
1-(azepan-1-yl)-8-ethoxy-N,N-dimethyl-4-oxo-5H-imidazo[1,5-a]quinoxaline-7-carboxamide has a molecular weight of 397.48 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azepan-1-yl)-8-ethoxy-N,N-dimethyl-4-oxo-5H-imidazo[1,5-a]quinoxaline-7-carboxamide is sourced from PubChem (CID 59198629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).