N-cycloheptyl-2-[3-(diethylsulfamoyl)-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]acetamide

C25H38N4O4S — CID 53088493

IUPACN-cycloheptyl-2-[3-(diethylsulfamoyl)-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc2c(c1)N(CC(=O)NC1CCCCCC1)C(=O)C1CCCCN21
InChIInChI=1S/C25H38N4O4S/c1-3-27(4-2)34(32,33)20-14-15-21-23(17-20)29(25(31)22-13-9-10-16-28(21)22)18-24(30)26-19-11-7-5-6-8-12-19/h14-15,17,19,22H,3-13,16,18H2,1-2H3,(H,26,30)
InChIKeyOHUHBSOIJNCUFJ-UHFFFAOYSA-N
MW490.67 g/mol
LogP3.26
Rot. Bonds7

About N-cycloheptyl-2-[3-(diethylsulfamoyl)-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]acetamide

N-cycloheptyl-2-[3-(diethylsulfamoyl)-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]acetamide (PubChem CID 53088493) has the molecular formula C25H38N4O4S and a molecular weight of 490.67 g/mol. Its IUPAC name is N-cycloheptyl-2-[3-(diethylsulfamoyl)-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]acetamide.

Molecular Properties

Compound NameN-cycloheptyl-2-[3-(diethylsulfamoyl)-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]acetamide
PubChem CID53088493
Molecular FormulaC25H38N4O4S
Molecular Weight490.67 g/mol
Exact Mass490.26
IUPAC NameN-cycloheptyl-2-[3-(diethylsulfamoyl)-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc2c(c1)N(CC(=O)NC1CCCCCC1)C(=O)C1CCCCN21
InChIInChI=1S/C25H38N4O4S/c1-3-27(4-2)34(32,33)20-14-15-21-23(17-20)29(25(31)22-13-9-10-16-28(21)22)18-24(30)26-19-11-7-5-6-8-12-19/h14-15,17,19,22H,3-13,16,18H2,1-2H3,(H,26,30)
InChIKeyOHUHBSOIJNCUFJ-UHFFFAOYSA-N
XLogP3.26
TPSA90.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.67
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(6aR)-6-oxo-3-pyrrolidin-1-ylsulfonyl-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]-N-cycloheptylacetamide
CID 95074687
2-[(6aS)-3-(diethylsulfamoyl)-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]-N-[2-(dimethylamino)ethyl]acetamide
CID 95074634
(6aS)-5-[2-(cyclohexylamino)-2-oxoethyl]-N,N-diethyl-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxaline-3-carboxamide
CID 92752128
(6aR)-N,N-diethyl-5-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxaline-3-sulfonamide
CID 95074619
(6aS)-N,N-diethyl-5-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxaline-3-sulfonamide
CID 95074620
5-[2-(cyclopentylamino)-2-oxoethyl]-N,N-diethyl-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxaline-3-carboxamide
CID 53029960
2-[7-(diethylsulfamoyl)-4-oxo-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoxalin-5-yl]-N-(4-methoxyphenyl)acetamide
CID 20940633
2-[(6aS)-3-(dimethylsulfamoyl)-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]-N-[(2R)-butan-2-yl]acetamide
CID 98747532
N-cyclooctyl-2-[6-oxo-3-(pyrrolidine-1-carbonyl)-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]acetamide
CID 22578624
(6aS)-N,N-dimethyl-6-oxo-5-(2-oxo-2-piperidin-1-ylethyl)-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxaline-3-sulfonamide
CID 93059818
2-[3-(dimethylsulfamoyl)-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]-N-[(4-ethylphenyl)methyl]acetamide
CID 53088485
2-[(6aS)-3-(dimethylsulfamoyl)-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]-N-(4-ethoxyphenyl)acetamide
CID 95074524

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-[3-(diethylsulfamoyl)-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]acetamide?
The IUPAC name of N-cycloheptyl-2-[3-(diethylsulfamoyl)-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]acetamide (CID 53088493) is N-cycloheptyl-2-[3-(diethylsulfamoyl)-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]acetamide.
What is the SMILES notation for N-cycloheptyl-2-[3-(diethylsulfamoyl)-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]acetamide?
The canonical SMILES for N-cycloheptyl-2-[3-(diethylsulfamoyl)-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]acetamide is CCN(CC)S(=O)(=O)c1ccc2c(c1)N(CC(=O)NC1CCCCCC1)C(=O)C1CCCCN21.
What is the InChIKey of N-cycloheptyl-2-[3-(diethylsulfamoyl)-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]acetamide?
The InChIKey is OHUHBSOIJNCUFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38N4O4S/c1-3-27(4-2)34(32,33)20-14-15-21-23(17-20)29(25(31)22-13-9-10-16-28(21)22)18-24(30)26-19-11-7-5-6-8-12-19/h14-15,17,19,22H,3-13,16,18H2,1-2H3,(H,26,30).
What are the key properties of N-cycloheptyl-2-[3-(diethylsulfamoyl)-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]acetamide?
N-cycloheptyl-2-[3-(diethylsulfamoyl)-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]acetamide has a molecular weight of 490.67 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-[3-(diethylsulfamoyl)-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]acetamide is sourced from PubChem (CID 53088493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).