methyl 2-(2-methoxyethyl)-1,8-dioxo-9-phenylmethoxypyrido[1,2-a]pyrazine-7-carboxylate

C20H20N2O6 — CID 59600575

IUPACmethyl 2-(2-methoxyethyl)-1,8-dioxo-9-phenylmethoxypyrido[1,2-a]pyrazine-7-carboxylate
SMILESCOCCn1ccn2cc(C(=O)OC)c(=O)c(OCc3ccccc3)c2c1=O
InChIInChI=1S/C20H20N2O6/c1-26-11-10-21-8-9-22-12-15(20(25)27-2)17(23)18(16(22)19(21)24)28-13-14-6-4-3-5-7-14/h3-9,12H,10-11,13H2,1-2H3
InChIKeyVMFDKMWLFGSYHV-UHFFFAOYSA-N
MW384.39 g/mol
LogP1.47
Rot. Bonds7

About methyl 2-(2-methoxyethyl)-1,8-dioxo-9-phenylmethoxypyrido[1,2-a]pyrazine-7-carboxylate

methyl 2-(2-methoxyethyl)-1,8-dioxo-9-phenylmethoxypyrido[1,2-a]pyrazine-7-carboxylate (PubChem CID 59600575) has the molecular formula C20H20N2O6 and a molecular weight of 384.39 g/mol. Its IUPAC name is methyl 2-(2-methoxyethyl)-1,8-dioxo-9-phenylmethoxypyrido[1,2-a]pyrazine-7-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2-methoxyethyl)-1,8-dioxo-9-phenylmethoxypyrido[1,2-a]pyrazine-7-carboxylate
PubChem CID59600575
Molecular FormulaC20H20N2O6
Molecular Weight384.39 g/mol
Exact Mass384.13
IUPAC Namemethyl 2-(2-methoxyethyl)-1,8-dioxo-9-phenylmethoxypyrido[1,2-a]pyrazine-7-carboxylate
SMILESCOCCn1ccn2cc(C(=O)OC)c(=O)c(OCc3ccccc3)c2c1=O
InChIInChI=1S/C20H20N2O6/c1-26-11-10-21-8-9-22-12-15(20(25)27-2)17(23)18(16(22)19(21)24)28-13-14-6-4-3-5-7-14/h3-9,12H,10-11,13H2,1-2H3
InChIKeyVMFDKMWLFGSYHV-UHFFFAOYSA-N
XLogP1.47
TPSA88.24 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze methyl 2-(2-methoxyethyl)-1,8-dioxo-9-phenylmethoxypyrido[1,2-a]pyrazine-7-carboxylate with MolForge

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Related Compounds

N-[(4-fluorophenyl)methyl]-1,8-dioxo-2-(2-phenoxyethyl)-9-phenylmethoxypyrido[1,2-a]pyrazine-7-carboxamide
CID 67310299
2-[(4-fluorophenyl)methyl]-1,8-dioxo-9-phenylmethoxypyrido[1,2-a]pyrazine-7-carboxylic acid
CID 90991081
N,2-bis[(4-fluorophenyl)methyl]-1,8-dioxo-9-phenylmethoxypyrido[1,2-a]pyrazine-7-carboxamide
CID 68677998
N-[(4-fluorophenyl)methyl]-1,8-dioxo-9-phenylmethoxy-2-(2-piperidin-1-ylethyl)pyrido[1,2-a]pyrazine-7-carboxamide
CID 67309481
N-[(4-fluorophenyl)methyl]-1,8-dioxo-9-phenylmethoxy-2-propan-2-ylpyrido[1,2-a]pyrazine-7-carboxamide
CID 67329269
7-acetyl-4-benzyl-2-(2-hydroxyethyl)-9-phenylmethoxypyrido[1,2-a]pyrazine-1,8-dione
CID 70368454
1-[1-(2-methoxyethyl)-4-oxo-3-phenylmethoxy-2-pyridinyl]propylcarbamic acid
CID 87289982
1-(2,2-dimethoxyethyl)-6-methoxycarbonyl-4-oxo-5-phenylmethoxypyridine-3-carboxylic acid
CID 134830452
methyl 5-carbamoyl-4-oxo-1-(2-oxopropyl)-3-phenylmethoxypyridine-2-carboxylate
CID 130400183
CID 158943191
CID 158943191
methyl 1-amino-6-[(4-fluorophenyl)methylcarbamoyl]-4-oxo-5-phenylmethoxypyridine-3-carboxylate
CID 130410779
methyl 6-formyl-4-oxo-5-phenylmethoxy-1H-pyridine-3-carboxylate
CID 59600568

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-methoxyethyl)-1,8-dioxo-9-phenylmethoxypyrido[1,2-a]pyrazine-7-carboxylate?
The IUPAC name of methyl 2-(2-methoxyethyl)-1,8-dioxo-9-phenylmethoxypyrido[1,2-a]pyrazine-7-carboxylate (CID 59600575) is methyl 2-(2-methoxyethyl)-1,8-dioxo-9-phenylmethoxypyrido[1,2-a]pyrazine-7-carboxylate.
What is the SMILES notation for methyl 2-(2-methoxyethyl)-1,8-dioxo-9-phenylmethoxypyrido[1,2-a]pyrazine-7-carboxylate?
The canonical SMILES for methyl 2-(2-methoxyethyl)-1,8-dioxo-9-phenylmethoxypyrido[1,2-a]pyrazine-7-carboxylate is COCCn1ccn2cc(C(=O)OC)c(=O)c(OCc3ccccc3)c2c1=O.
What is the InChIKey of methyl 2-(2-methoxyethyl)-1,8-dioxo-9-phenylmethoxypyrido[1,2-a]pyrazine-7-carboxylate?
The InChIKey is VMFDKMWLFGSYHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O6/c1-26-11-10-21-8-9-22-12-15(20(25)27-2)17(23)18(16(22)19(21)24)28-13-14-6-4-3-5-7-14/h3-9,12H,10-11,13H2,1-2H3.
What are the key properties of methyl 2-(2-methoxyethyl)-1,8-dioxo-9-phenylmethoxypyrido[1,2-a]pyrazine-7-carboxylate?
methyl 2-(2-methoxyethyl)-1,8-dioxo-9-phenylmethoxypyrido[1,2-a]pyrazine-7-carboxylate has a molecular weight of 384.39 g/mol, XLogP of 1.47, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-methoxyethyl)-1,8-dioxo-9-phenylmethoxypyrido[1,2-a]pyrazine-7-carboxylate is sourced from PubChem (CID 59600575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).