1-hydroxy-1-phenyl-7-phenylmethoxy-2,3,4,4a,5,11a-hexahydropyrido[1,2-a]quinoxaline-6,8-dione

C25H24N2O4 — CID 166959954

IUPAC1-hydroxy-1-phenyl-7-phenylmethoxy-2,3,4,4a,5,11a-hexahydropyrido[1,2-a]quinoxaline-6,8-dione
SMILESO=C1NC2CCCC(O)(c3ccccc3)C2n2ccc(=O)c(OCc3ccccc3)c21
InChIInChI=1S/C25H24N2O4/c28-20-13-15-27-21(22(20)31-16-17-8-3-1-4-9-17)24(29)26-19-12-7-14-25(30,23(19)27)18-10-5-2-6-11-18/h1-6,8-11,13,15,19,23,30H,7,12,14,16H2,(H,26,29)
InChIKeyUMZSCHHRJMIVFN-UHFFFAOYSA-N
MW416.48 g/mol
LogP3.15
Rot. Bonds4

About 1-hydroxy-1-phenyl-7-phenylmethoxy-2,3,4,4a,5,11a-hexahydropyrido[1,2-a]quinoxaline-6,8-dione

1-hydroxy-1-phenyl-7-phenylmethoxy-2,3,4,4a,5,11a-hexahydropyrido[1,2-a]quinoxaline-6,8-dione (PubChem CID 166959954) has the molecular formula C25H24N2O4 and a molecular weight of 416.48 g/mol. Its IUPAC name is 1-hydroxy-1-phenyl-7-phenylmethoxy-2,3,4,4a,5,11a-hexahydropyrido[1,2-a]quinoxaline-6,8-dione.

Molecular Properties

Compound Name1-hydroxy-1-phenyl-7-phenylmethoxy-2,3,4,4a,5,11a-hexahydropyrido[1,2-a]quinoxaline-6,8-dione
PubChem CID166959954
Molecular FormulaC25H24N2O4
Molecular Weight416.48 g/mol
Exact Mass416.17
IUPAC Name1-hydroxy-1-phenyl-7-phenylmethoxy-2,3,4,4a,5,11a-hexahydropyrido[1,2-a]quinoxaline-6,8-dione
SMILESO=C1NC2CCCC(O)(c3ccccc3)C2n2ccc(=O)c(OCc3ccccc3)c21
InChIInChI=1S/C25H24N2O4/c28-20-13-15-27-21(22(20)31-16-17-8-3-1-4-9-17)24(29)26-19-12-7-14-25(30,23(19)27)18-10-5-2-6-11-18/h1-6,8-11,13,15,19,23,30H,7,12,14,16H2,(H,26,29)
InChIKeyUMZSCHHRJMIVFN-UHFFFAOYSA-N
XLogP3.15
TPSA80.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-1-phenyl-7-phenylmethoxy-2,3,4,4a,5,11a-hexahydropyrido[1,2-a]quinoxaline-6,8-dione?
The IUPAC name of 1-hydroxy-1-phenyl-7-phenylmethoxy-2,3,4,4a,5,11a-hexahydropyrido[1,2-a]quinoxaline-6,8-dione (CID 166959954) is 1-hydroxy-1-phenyl-7-phenylmethoxy-2,3,4,4a,5,11a-hexahydropyrido[1,2-a]quinoxaline-6,8-dione.
What is the SMILES notation for 1-hydroxy-1-phenyl-7-phenylmethoxy-2,3,4,4a,5,11a-hexahydropyrido[1,2-a]quinoxaline-6,8-dione?
The canonical SMILES for 1-hydroxy-1-phenyl-7-phenylmethoxy-2,3,4,4a,5,11a-hexahydropyrido[1,2-a]quinoxaline-6,8-dione is O=C1NC2CCCC(O)(c3ccccc3)C2n2ccc(=O)c(OCc3ccccc3)c21.
What is the InChIKey of 1-hydroxy-1-phenyl-7-phenylmethoxy-2,3,4,4a,5,11a-hexahydropyrido[1,2-a]quinoxaline-6,8-dione?
The InChIKey is UMZSCHHRJMIVFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O4/c28-20-13-15-27-21(22(20)31-16-17-8-3-1-4-9-17)24(29)26-19-12-7-14-25(30,23(19)27)18-10-5-2-6-11-18/h1-6,8-11,13,15,19,23,30H,7,12,14,16H2,(H,26,29).
What are the key properties of 1-hydroxy-1-phenyl-7-phenylmethoxy-2,3,4,4a,5,11a-hexahydropyrido[1,2-a]quinoxaline-6,8-dione?
1-hydroxy-1-phenyl-7-phenylmethoxy-2,3,4,4a,5,11a-hexahydropyrido[1,2-a]quinoxaline-6,8-dione has a molecular weight of 416.48 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-1-phenyl-7-phenylmethoxy-2,3,4,4a,5,11a-hexahydropyrido[1,2-a]quinoxaline-6,8-dione is sourced from PubChem (CID 166959954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).