(4S)-4-benzyl-7,9-dihydroxy-2-(2-methoxyethyl)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione

C18H20N2O5 — CID 70368519

IUPAC(4S)-4-benzyl-7,9-dihydroxy-2-(2-methoxyethyl)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione
SMILESCOCCN1C[C@H](Cc2ccccc2)n2cc(O)c(=O)c(O)c2C1=O
InChIInChI=1S/C18H20N2O5/c1-25-8-7-19-10-13(9-12-5-3-2-4-6-12)20-11-14(21)16(22)17(23)15(20)18(19)24/h2-6,11,13,21,23H,7-10H2,1H3/t13-/m0/s1
InChIKeyHESQHKXDUXRMNJ-ZDUSSCGKSA-N
MW344.37 g/mol
LogP1.15
Rot. Bonds5

About (4S)-4-benzyl-7,9-dihydroxy-2-(2-methoxyethyl)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione

(4S)-4-benzyl-7,9-dihydroxy-2-(2-methoxyethyl)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione (PubChem CID 70368519) has the molecular formula C18H20N2O5 and a molecular weight of 344.37 g/mol. Its IUPAC name is (4S)-4-benzyl-7,9-dihydroxy-2-(2-methoxyethyl)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione.

Molecular Properties

Compound Name(4S)-4-benzyl-7,9-dihydroxy-2-(2-methoxyethyl)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione
PubChem CID70368519
Molecular FormulaC18H20N2O5
Molecular Weight344.37 g/mol
Exact Mass344.14
IUPAC Name(4S)-4-benzyl-7,9-dihydroxy-2-(2-methoxyethyl)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione
SMILESCOCCN1C[C@H](Cc2ccccc2)n2cc(O)c(=O)c(O)c2C1=O
InChIInChI=1S/C18H20N2O5/c1-25-8-7-19-10-13(9-12-5-3-2-4-6-12)20-11-14(21)16(22)17(23)15(20)18(19)24/h2-6,11,13,21,23H,7-10H2,1H3/t13-/m0/s1
InChIKeyHESQHKXDUXRMNJ-ZDUSSCGKSA-N
XLogP1.15
TPSA92.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-benzyl-7,9-dihydroxy-2-(2-methoxyethyl)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione?
The IUPAC name of (4S)-4-benzyl-7,9-dihydroxy-2-(2-methoxyethyl)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione (CID 70368519) is (4S)-4-benzyl-7,9-dihydroxy-2-(2-methoxyethyl)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione.
What is the SMILES notation for (4S)-4-benzyl-7,9-dihydroxy-2-(2-methoxyethyl)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione?
The canonical SMILES for (4S)-4-benzyl-7,9-dihydroxy-2-(2-methoxyethyl)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione is COCCN1C[C@H](Cc2ccccc2)n2cc(O)c(=O)c(O)c2C1=O.
What is the InChIKey of (4S)-4-benzyl-7,9-dihydroxy-2-(2-methoxyethyl)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione?
The InChIKey is HESQHKXDUXRMNJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H20N2O5/c1-25-8-7-19-10-13(9-12-5-3-2-4-6-12)20-11-14(21)16(22)17(23)15(20)18(19)24/h2-6,11,13,21,23H,7-10H2,1H3/t13-/m0/s1.
What are the key properties of (4S)-4-benzyl-7,9-dihydroxy-2-(2-methoxyethyl)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione?
(4S)-4-benzyl-7,9-dihydroxy-2-(2-methoxyethyl)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione has a molecular weight of 344.37 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-benzyl-7,9-dihydroxy-2-(2-methoxyethyl)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione is sourced from PubChem (CID 70368519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).