6-(4-methoxyphenyl)-1-phenyl-3,4-dihydropyrrolo[1,2-a]pyrazine;oxalic acid

C22H20N2O5 — CID 11211518

IUPAC6-(4-methoxyphenyl)-1-phenyl-3,4-dihydropyrrolo[1,2-a]pyrazine;oxalic acid
SMILESCOc1ccc(-c2ccc3n2CCN=C3c2ccccc2)cc1.O=C(O)C(=O)O
InChIInChI=1S/C20H18N2O.C2H2O4/c1-23-17-9-7-15(8-10-17)18-11-12-19-20(21-13-14-22(18)19)16-5-3-2-4-6-16;3-1(4)2(5)6/h2-12H,13-14H2,1H3;(H,3,4)(H,5,6)
InChIKeyHUEJGOYQVCZVOO-UHFFFAOYSA-N
MW392.41 g/mol
LogP3.17
Rot. Bonds3

About 6-(4-methoxyphenyl)-1-phenyl-3,4-dihydropyrrolo[1,2-a]pyrazine;oxalic acid

6-(4-methoxyphenyl)-1-phenyl-3,4-dihydropyrrolo[1,2-a]pyrazine;oxalic acid (PubChem CID 11211518) has the molecular formula C22H20N2O5 and a molecular weight of 392.41 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-1-phenyl-3,4-dihydropyrrolo[1,2-a]pyrazine;oxalic acid.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-1-phenyl-3,4-dihydropyrrolo[1,2-a]pyrazine;oxalic acid
PubChem CID11211518
Molecular FormulaC22H20N2O5
Molecular Weight392.41 g/mol
Exact Mass392.14
IUPAC Name6-(4-methoxyphenyl)-1-phenyl-3,4-dihydropyrrolo[1,2-a]pyrazine;oxalic acid
SMILESCOc1ccc(-c2ccc3n2CCN=C3c2ccccc2)cc1.O=C(O)C(=O)O
InChIInChI=1S/C20H18N2O.C2H2O4/c1-23-17-9-7-15(8-10-17)18-11-12-19-20(21-13-14-22(18)19)16-5-3-2-4-6-16;3-1(4)2(5)6/h2-12H,13-14H2,1H3;(H,3,4)(H,5,6)
InChIKeyHUEJGOYQVCZVOO-UHFFFAOYSA-N
XLogP3.17
TPSA101.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.41
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-1-phenyl-3,4-dihydropyrrolo[1,2-a]pyrazine;oxalic acid?
The IUPAC name of 6-(4-methoxyphenyl)-1-phenyl-3,4-dihydropyrrolo[1,2-a]pyrazine;oxalic acid (CID 11211518) is 6-(4-methoxyphenyl)-1-phenyl-3,4-dihydropyrrolo[1,2-a]pyrazine;oxalic acid.
What is the SMILES notation for 6-(4-methoxyphenyl)-1-phenyl-3,4-dihydropyrrolo[1,2-a]pyrazine;oxalic acid?
The canonical SMILES for 6-(4-methoxyphenyl)-1-phenyl-3,4-dihydropyrrolo[1,2-a]pyrazine;oxalic acid is COc1ccc(-c2ccc3n2CCN=C3c2ccccc2)cc1.O=C(O)C(=O)O.
What is the InChIKey of 6-(4-methoxyphenyl)-1-phenyl-3,4-dihydropyrrolo[1,2-a]pyrazine;oxalic acid?
The InChIKey is HUEJGOYQVCZVOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O.C2H2O4/c1-23-17-9-7-15(8-10-17)18-11-12-19-20(21-13-14-22(18)19)16-5-3-2-4-6-16;3-1(4)2(5)6/h2-12H,13-14H2,1H3;(H,3,4)(H,5,6).
What are the key properties of 6-(4-methoxyphenyl)-1-phenyl-3,4-dihydropyrrolo[1,2-a]pyrazine;oxalic acid?
6-(4-methoxyphenyl)-1-phenyl-3,4-dihydropyrrolo[1,2-a]pyrazine;oxalic acid has a molecular weight of 392.41 g/mol, XLogP of 3.17, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-1-phenyl-3,4-dihydropyrrolo[1,2-a]pyrazine;oxalic acid is sourced from PubChem (CID 11211518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).