7-acetyl-4-benzyl-2-(2-hydroxyethyl)-9-phenylmethoxypyrido[1,2-a]pyrazine-1,8-dione

C26H24N2O5 — CID 70368454

IUPAC7-acetyl-4-benzyl-2-(2-hydroxyethyl)-9-phenylmethoxypyrido[1,2-a]pyrazine-1,8-dione
SMILESCC(=O)c1cn2c(Cc3ccccc3)cn(CCO)c(=O)c2c(OCc2ccccc2)c1=O
InChIInChI=1S/C26H24N2O5/c1-18(30)22-16-28-21(14-19-8-4-2-5-9-19)15-27(12-13-29)26(32)23(28)25(24(22)31)33-17-20-10-6-3-7-11-20/h2-11,15-16,29H,12-14,17H2,1H3
InChIKeyRTNKXNULGWDWMN-UHFFFAOYSA-N
MW444.49 g/mol
LogP2.83
Rot. Bonds8

About 7-acetyl-4-benzyl-2-(2-hydroxyethyl)-9-phenylmethoxypyrido[1,2-a]pyrazine-1,8-dione

7-acetyl-4-benzyl-2-(2-hydroxyethyl)-9-phenylmethoxypyrido[1,2-a]pyrazine-1,8-dione (PubChem CID 70368454) has the molecular formula C26H24N2O5 and a molecular weight of 444.49 g/mol. Its IUPAC name is 7-acetyl-4-benzyl-2-(2-hydroxyethyl)-9-phenylmethoxypyrido[1,2-a]pyrazine-1,8-dione.

Molecular Properties

Compound Name7-acetyl-4-benzyl-2-(2-hydroxyethyl)-9-phenylmethoxypyrido[1,2-a]pyrazine-1,8-dione
PubChem CID70368454
Molecular FormulaC26H24N2O5
Molecular Weight444.49 g/mol
Exact Mass444.17
IUPAC Name7-acetyl-4-benzyl-2-(2-hydroxyethyl)-9-phenylmethoxypyrido[1,2-a]pyrazine-1,8-dione
SMILESCC(=O)c1cn2c(Cc3ccccc3)cn(CCO)c(=O)c2c(OCc2ccccc2)c1=O
InChIInChI=1S/C26H24N2O5/c1-18(30)22-16-28-21(14-19-8-4-2-5-9-19)15-27(12-13-29)26(32)23(28)25(24(22)31)33-17-20-10-6-3-7-11-20/h2-11,15-16,29H,12-14,17H2,1H3
InChIKeyRTNKXNULGWDWMN-UHFFFAOYSA-N
XLogP2.83
TPSA90.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.49
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 2-(2-methoxyethyl)-1,8-dioxo-9-phenylmethoxypyrido[1,2-a]pyrazine-7-carboxylate
CID 59600575
2-[(4-fluorophenyl)methyl]-1,8-dioxo-9-phenylmethoxypyrido[1,2-a]pyrazine-7-carboxylic acid
CID 90991081
(4S)-7-acetyl-4-benzyl-2-(2-hydroxyethyl)-9-phenylmethoxy-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione;4-benzyl-2-(2-hydroxyethyl)-1,8-dioxo-9-phenylmethoxy-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylic acid;4-benzyl-9-hydroxy-2-(2-hydroxyethyl)-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylic acid
CID 158692685
methyl 5-carbamoyl-4-oxo-1-(2-oxopropyl)-3-phenylmethoxypyridine-2-carboxylate
CID 130400183
1-(3,5-dimethyl-2-phenylmethoxyphenyl)ethanone
CID 70039438
N,2-bis[(4-fluorophenyl)methyl]-1,8-dioxo-9-phenylmethoxypyrido[1,2-a]pyrazine-7-carboxamide
CID 68677998
1-(2-hydroxyethyl)-4-oxo-3-phenylmethoxy-N-propylpyridine-2-carboxamide
CID 143761971
N-[(4-fluorophenyl)methyl]-1,8-dioxo-2-(2-phenoxyethyl)-9-phenylmethoxypyrido[1,2-a]pyrazine-7-carboxamide
CID 67310299
1-(2,2-dimethoxyethyl)-6-methoxycarbonyl-4-oxo-5-phenylmethoxypyridine-3-carboxylic acid
CID 134830452
1-(2-hydroxyethyl)-2-methyl-3-phenylmethoxypyridin-4-one;3-hydroxy-1-(2-hydroxyethyl)-2-methylpyridin-4-one
CID 158779776
(3R)-7-acetyl-3-benzhydryl-9-phenylmethoxy-3,4-dihydro-2H-pyrido[1,2-a]pyrazine-1,8-dione
CID 58067139
N-[(4-fluorophenyl)methyl]-1,8-dioxo-9-phenylmethoxy-2-(2-piperidin-1-ylethyl)pyrido[1,2-a]pyrazine-7-carboxamide
CID 67309481

Frequently Asked Questions

What is the IUPAC name of 7-acetyl-4-benzyl-2-(2-hydroxyethyl)-9-phenylmethoxypyrido[1,2-a]pyrazine-1,8-dione?
The IUPAC name of 7-acetyl-4-benzyl-2-(2-hydroxyethyl)-9-phenylmethoxypyrido[1,2-a]pyrazine-1,8-dione (CID 70368454) is 7-acetyl-4-benzyl-2-(2-hydroxyethyl)-9-phenylmethoxypyrido[1,2-a]pyrazine-1,8-dione.
What is the SMILES notation for 7-acetyl-4-benzyl-2-(2-hydroxyethyl)-9-phenylmethoxypyrido[1,2-a]pyrazine-1,8-dione?
The canonical SMILES for 7-acetyl-4-benzyl-2-(2-hydroxyethyl)-9-phenylmethoxypyrido[1,2-a]pyrazine-1,8-dione is CC(=O)c1cn2c(Cc3ccccc3)cn(CCO)c(=O)c2c(OCc2ccccc2)c1=O.
What is the InChIKey of 7-acetyl-4-benzyl-2-(2-hydroxyethyl)-9-phenylmethoxypyrido[1,2-a]pyrazine-1,8-dione?
The InChIKey is RTNKXNULGWDWMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O5/c1-18(30)22-16-28-21(14-19-8-4-2-5-9-19)15-27(12-13-29)26(32)23(28)25(24(22)31)33-17-20-10-6-3-7-11-20/h2-11,15-16,29H,12-14,17H2,1H3.
What are the key properties of 7-acetyl-4-benzyl-2-(2-hydroxyethyl)-9-phenylmethoxypyrido[1,2-a]pyrazine-1,8-dione?
7-acetyl-4-benzyl-2-(2-hydroxyethyl)-9-phenylmethoxypyrido[1,2-a]pyrazine-1,8-dione has a molecular weight of 444.49 g/mol, XLogP of 2.83, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-acetyl-4-benzyl-2-(2-hydroxyethyl)-9-phenylmethoxypyrido[1,2-a]pyrazine-1,8-dione is sourced from PubChem (CID 70368454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).