(4S)-4-benzhydryl-9-hydroxy-2-(2-methoxyethyl)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione

C24H24N2O4 — CID 67471576

IUPAC(4S)-4-benzhydryl-9-hydroxy-2-(2-methoxyethyl)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione
SMILESCOCCN1C[C@H](C(c2ccccc2)c2ccccc2)n2ccc(=O)c(O)c2C1=O
InChIInChI=1S/C24H24N2O4/c1-30-15-14-25-16-19(26-13-12-20(27)23(28)22(26)24(25)29)21(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-13,19,21,28H,14-16H2,1H3/t19-/m1/s1
InChIKeyAOTILRBHZXCWKT-LJQANCHMSA-N
MW404.47 g/mol
LogP3.03
Rot. Bonds6

About (4S)-4-benzhydryl-9-hydroxy-2-(2-methoxyethyl)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione

(4S)-4-benzhydryl-9-hydroxy-2-(2-methoxyethyl)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione (PubChem CID 67471576) has the molecular formula C24H24N2O4 and a molecular weight of 404.47 g/mol. Its IUPAC name is (4S)-4-benzhydryl-9-hydroxy-2-(2-methoxyethyl)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione.

Molecular Properties

Compound Name(4S)-4-benzhydryl-9-hydroxy-2-(2-methoxyethyl)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione
PubChem CID67471576
Molecular FormulaC24H24N2O4
Molecular Weight404.47 g/mol
Exact Mass404.17
IUPAC Name(4S)-4-benzhydryl-9-hydroxy-2-(2-methoxyethyl)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione
SMILESCOCCN1C[C@H](C(c2ccccc2)c2ccccc2)n2ccc(=O)c(O)c2C1=O
InChIInChI=1S/C24H24N2O4/c1-30-15-14-25-16-19(26-13-12-20(27)23(28)22(26)24(25)29)21(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-13,19,21,28H,14-16H2,1H3/t19-/m1/s1
InChIKeyAOTILRBHZXCWKT-LJQANCHMSA-N
XLogP3.03
TPSA71.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-benzhydryl-9-hydroxy-2-(2-methoxyethyl)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione?
The IUPAC name of (4S)-4-benzhydryl-9-hydroxy-2-(2-methoxyethyl)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione (CID 67471576) is (4S)-4-benzhydryl-9-hydroxy-2-(2-methoxyethyl)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione.
What is the SMILES notation for (4S)-4-benzhydryl-9-hydroxy-2-(2-methoxyethyl)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione?
The canonical SMILES for (4S)-4-benzhydryl-9-hydroxy-2-(2-methoxyethyl)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione is COCCN1C[C@H](C(c2ccccc2)c2ccccc2)n2ccc(=O)c(O)c2C1=O.
What is the InChIKey of (4S)-4-benzhydryl-9-hydroxy-2-(2-methoxyethyl)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione?
The InChIKey is AOTILRBHZXCWKT-LJQANCHMSA-N. The full InChI is InChI=1S/C24H24N2O4/c1-30-15-14-25-16-19(26-13-12-20(27)23(28)22(26)24(25)29)21(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-13,19,21,28H,14-16H2,1H3/t19-/m1/s1.
What are the key properties of (4S)-4-benzhydryl-9-hydroxy-2-(2-methoxyethyl)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione?
(4S)-4-benzhydryl-9-hydroxy-2-(2-methoxyethyl)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione has a molecular weight of 404.47 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-benzhydryl-9-hydroxy-2-(2-methoxyethyl)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione is sourced from PubChem (CID 67471576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).