2-ethyl-9-phenylmethoxyspiro[4H-pyrido[1,2-a]pyrazine-3,3'-oxane]-1,8-dione

C21H24N2O4 — CID 122660359

IUPAC2-ethyl-9-phenylmethoxyspiro[4H-pyrido[1,2-a]pyrazine-3,3'-oxane]-1,8-dione
SMILESCCN1C(=O)c2c(OCc3ccccc3)c(=O)ccn2CC12CCCOC2
InChIInChI=1S/C21H24N2O4/c1-2-23-20(25)18-19(27-13-16-7-4-3-5-8-16)17(24)9-11-22(18)14-21(23)10-6-12-26-15-21/h3-5,7-9,11H,2,6,10,12-15H2,1H3
InChIKeyXSRCBIQHNYIMHL-UHFFFAOYSA-N
MW368.43 g/mol
LogP2.45
Rot. Bonds4

About 2-ethyl-9-phenylmethoxyspiro[4H-pyrido[1,2-a]pyrazine-3,3'-oxane]-1,8-dione

2-ethyl-9-phenylmethoxyspiro[4H-pyrido[1,2-a]pyrazine-3,3'-oxane]-1,8-dione (PubChem CID 122660359) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is 2-ethyl-9-phenylmethoxyspiro[4H-pyrido[1,2-a]pyrazine-3,3'-oxane]-1,8-dione.

Molecular Properties

Compound Name2-ethyl-9-phenylmethoxyspiro[4H-pyrido[1,2-a]pyrazine-3,3'-oxane]-1,8-dione
PubChem CID122660359
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name2-ethyl-9-phenylmethoxyspiro[4H-pyrido[1,2-a]pyrazine-3,3'-oxane]-1,8-dione
SMILESCCN1C(=O)c2c(OCc3ccccc3)c(=O)ccn2CC12CCCOC2
InChIInChI=1S/C21H24N2O4/c1-2-23-20(25)18-19(27-13-16-7-4-3-5-8-16)17(24)9-11-22(18)14-21(23)10-6-12-26-15-21/h3-5,7-9,11H,2,6,10,12-15H2,1H3
InChIKeyXSRCBIQHNYIMHL-UHFFFAOYSA-N
XLogP2.45
TPSA60.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-bromo-9-butoxy-2-ethylspiro[4H-pyrido[1,2-a]pyrazine-3,3'-oxane]-1,8-dione
CID 118183647
7-methyl-11-phenylmethoxy-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione
CID 76737494
(3R)-11-phenylmethoxy-5-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione
CID 163595400
N-[(2,4-difluorophenyl)methyl]-1,8-dioxo-9-phenylmethoxy-2-propylspiro[4H-pyrido[1,2-a]pyrazine-3,3'-oxolane]-7-carboxamide
CID 123538093
(3R)-10-phenylmethoxy-1,7-diazatricyclo[7.4.0.03,7]trideca-9,12-diene-8,11-dione
CID 58015337
3-ethyl-5-phenylmethoxy-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione
CID 146443928
10-phenylmethoxyspiro[1,2,7-triazatricyclo[7.4.0.03,7]trideca-9,12-diene-5,4'-oxane]-8,11-dione
CID 171633632
5-phenylmethoxy-12-oxa-2,9-diazatetracyclo[11.3.1.02,11.04,9]heptadeca-4,7-diene-3,6-dione
CID 144808615
N-[(3-chloro-2,4-difluorophenyl)methyl]-2-methyl-1,8-dioxo-9-phenylmethoxyspiro[4H-pyrido[1,2-a]pyrazine-3,3'-oxolane]-7-carboxamide
CID 122660356
3-ethyl-2-(hydroxymethyl)-5-phenylmethoxy-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione
CID 138566946
10-phenylmethoxy-4-oxa-1,7-diazatricyclo[7.4.0.02,6]trideca-9,12-diene-8,11-dione
CID 123782779
N-[(2,4-difluorophenyl)methyl]-2-methyl-1,8-dioxo-9-phenylmethoxyspiro[4H-pyrido[1,2-a]pyrazine-3,3'-oxolane]-7-carboxamide
CID 123412839

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-9-phenylmethoxyspiro[4H-pyrido[1,2-a]pyrazine-3,3'-oxane]-1,8-dione?
The IUPAC name of 2-ethyl-9-phenylmethoxyspiro[4H-pyrido[1,2-a]pyrazine-3,3'-oxane]-1,8-dione (CID 122660359) is 2-ethyl-9-phenylmethoxyspiro[4H-pyrido[1,2-a]pyrazine-3,3'-oxane]-1,8-dione.
What is the SMILES notation for 2-ethyl-9-phenylmethoxyspiro[4H-pyrido[1,2-a]pyrazine-3,3'-oxane]-1,8-dione?
The canonical SMILES for 2-ethyl-9-phenylmethoxyspiro[4H-pyrido[1,2-a]pyrazine-3,3'-oxane]-1,8-dione is CCN1C(=O)c2c(OCc3ccccc3)c(=O)ccn2CC12CCCOC2.
What is the InChIKey of 2-ethyl-9-phenylmethoxyspiro[4H-pyrido[1,2-a]pyrazine-3,3'-oxane]-1,8-dione?
The InChIKey is XSRCBIQHNYIMHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-2-23-20(25)18-19(27-13-16-7-4-3-5-8-16)17(24)9-11-22(18)14-21(23)10-6-12-26-15-21/h3-5,7-9,11H,2,6,10,12-15H2,1H3.
What are the key properties of 2-ethyl-9-phenylmethoxyspiro[4H-pyrido[1,2-a]pyrazine-3,3'-oxane]-1,8-dione?
2-ethyl-9-phenylmethoxyspiro[4H-pyrido[1,2-a]pyrazine-3,3'-oxane]-1,8-dione has a molecular weight of 368.43 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-9-phenylmethoxyspiro[4H-pyrido[1,2-a]pyrazine-3,3'-oxane]-1,8-dione is sourced from PubChem (CID 122660359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).