(4R)-4-benzyl-9-hydroxy-2-(2-methoxyethyl)-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylic acid

C19H20N2O6 — CID 155536871

IUPAC(4R)-4-benzyl-9-hydroxy-2-(2-methoxyethyl)-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylic acid
SMILESCOCCN1C[C@@H](Cc2ccccc2)n2cc(C(=O)O)c(=O)c(O)c2C1=O
InChIInChI=1S/C19H20N2O6/c1-27-8-7-20-10-13(9-12-5-3-2-4-6-12)21-11-14(19(25)26)16(22)17(23)15(21)18(20)24/h2-6,11,13,23H,7-10H2,1H3,(H,25,26)/t13-/m1/s1
InChIKeyLWDWGBYGZZWHRU-CYBMUJFWSA-N
MW372.38 g/mol
LogP1.14
Rot. Bonds6

About (4R)-4-benzyl-9-hydroxy-2-(2-methoxyethyl)-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylic acid

(4R)-4-benzyl-9-hydroxy-2-(2-methoxyethyl)-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylic acid (PubChem CID 155536871) has the molecular formula C19H20N2O6 and a molecular weight of 372.38 g/mol. Its IUPAC name is (4R)-4-benzyl-9-hydroxy-2-(2-methoxyethyl)-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylic acid.

Molecular Properties

Compound Name(4R)-4-benzyl-9-hydroxy-2-(2-methoxyethyl)-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylic acid
PubChem CID155536871
Molecular FormulaC19H20N2O6
Molecular Weight372.38 g/mol
Exact Mass372.13
IUPAC Name(4R)-4-benzyl-9-hydroxy-2-(2-methoxyethyl)-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylic acid
SMILESCOCCN1C[C@@H](Cc2ccccc2)n2cc(C(=O)O)c(=O)c(O)c2C1=O
InChIInChI=1S/C19H20N2O6/c1-27-8-7-20-10-13(9-12-5-3-2-4-6-12)21-11-14(19(25)26)16(22)17(23)15(21)18(20)24/h2-6,11,13,23H,7-10H2,1H3,(H,25,26)/t13-/m1/s1
InChIKeyLWDWGBYGZZWHRU-CYBMUJFWSA-N
XLogP1.14
TPSA109.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-benzyl-9-hydroxy-2-(2-methoxyethyl)-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylic acid?
The IUPAC name of (4R)-4-benzyl-9-hydroxy-2-(2-methoxyethyl)-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylic acid (CID 155536871) is (4R)-4-benzyl-9-hydroxy-2-(2-methoxyethyl)-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylic acid.
What is the SMILES notation for (4R)-4-benzyl-9-hydroxy-2-(2-methoxyethyl)-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylic acid?
The canonical SMILES for (4R)-4-benzyl-9-hydroxy-2-(2-methoxyethyl)-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylic acid is COCCN1C[C@@H](Cc2ccccc2)n2cc(C(=O)O)c(=O)c(O)c2C1=O.
What is the InChIKey of (4R)-4-benzyl-9-hydroxy-2-(2-methoxyethyl)-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylic acid?
The InChIKey is LWDWGBYGZZWHRU-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H20N2O6/c1-27-8-7-20-10-13(9-12-5-3-2-4-6-12)21-11-14(19(25)26)16(22)17(23)15(21)18(20)24/h2-6,11,13,23H,7-10H2,1H3,(H,25,26)/t13-/m1/s1.
What are the key properties of (4R)-4-benzyl-9-hydroxy-2-(2-methoxyethyl)-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylic acid?
(4R)-4-benzyl-9-hydroxy-2-(2-methoxyethyl)-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylic acid has a molecular weight of 372.38 g/mol, XLogP of 1.14, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-benzyl-9-hydroxy-2-(2-methoxyethyl)-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylic acid is sourced from PubChem (CID 155536871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).