N-cycloheptyl-6-oxo-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxaline-3-carboxamide

C20H27N3O2 — CID 46349891

IUPACN-cycloheptyl-6-oxo-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxaline-3-carboxamide
SMILESO=C(NC1CCCCCC1)c1ccc2c(c1)NC(=O)C1CCCCN21
InChIInChI=1S/C20H27N3O2/c24-19(21-15-7-3-1-2-4-8-15)14-10-11-17-16(13-14)22-20(25)18-9-5-6-12-23(17)18/h10-11,13,15,18H,1-9,12H2,(H,21,24)(H,22,25)
InChIKeyWRQROPTZJDWDEC-UHFFFAOYSA-N
MW341.45 g/mol
LogP3.45
Rot. Bonds2

About N-cycloheptyl-6-oxo-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxaline-3-carboxamide

N-cycloheptyl-6-oxo-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxaline-3-carboxamide (PubChem CID 46349891) has the molecular formula C20H27N3O2 and a molecular weight of 341.45 g/mol. Its IUPAC name is N-cycloheptyl-6-oxo-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxaline-3-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-6-oxo-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxaline-3-carboxamide
PubChem CID46349891
Molecular FormulaC20H27N3O2
Molecular Weight341.45 g/mol
Exact Mass341.21
IUPAC NameN-cycloheptyl-6-oxo-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxaline-3-carboxamide
SMILESO=C(NC1CCCCCC1)c1ccc2c(c1)NC(=O)C1CCCCN21
InChIInChI=1S/C20H27N3O2/c24-19(21-15-7-3-1-2-4-8-15)14-10-11-17-16(13-14)22-20(25)18-9-5-6-12-23(17)18/h10-11,13,15,18H,1-9,12H2,(H,21,24)(H,22,25)
InChIKeyWRQROPTZJDWDEC-UHFFFAOYSA-N
XLogP3.45
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-6-oxo-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxaline-3-carboxamide?
The IUPAC name of N-cycloheptyl-6-oxo-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxaline-3-carboxamide (CID 46349891) is N-cycloheptyl-6-oxo-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxaline-3-carboxamide.
What is the SMILES notation for N-cycloheptyl-6-oxo-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxaline-3-carboxamide?
The canonical SMILES for N-cycloheptyl-6-oxo-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxaline-3-carboxamide is O=C(NC1CCCCCC1)c1ccc2c(c1)NC(=O)C1CCCCN21.
What is the InChIKey of N-cycloheptyl-6-oxo-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxaline-3-carboxamide?
The InChIKey is WRQROPTZJDWDEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c24-19(21-15-7-3-1-2-4-8-15)14-10-11-17-16(13-14)22-20(25)18-9-5-6-12-23(17)18/h10-11,13,15,18H,1-9,12H2,(H,21,24)(H,22,25).
What are the key properties of N-cycloheptyl-6-oxo-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxaline-3-carboxamide?
N-cycloheptyl-6-oxo-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxaline-3-carboxamide has a molecular weight of 341.45 g/mol, XLogP of 3.45, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-6-oxo-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxaline-3-carboxamide is sourced from PubChem (CID 46349891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).