2-[(3-chlorophenyl)methyl]-8,9-dihydroxy-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione

C15H13ClN2O4 — CID 54684774

IUPAC2-[(3-chlorophenyl)methyl]-8,9-dihydroxy-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
SMILESO=C1c2c(O)c(O)cc(=O)n2CCN1Cc1cccc(Cl)c1
InChIInChI=1S/C15H13ClN2O4/c16-10-3-1-2-9(6-10)8-17-4-5-18-12(20)7-11(19)14(21)13(18)15(17)22/h1-3,6-7,19,21H,4-5,8H2
InChIKeyVPLYPNIQVTUPJL-UHFFFAOYSA-N
MW320.73 g/mol
LogP1.57
Rot. Bonds2

About 2-[(3-chlorophenyl)methyl]-8,9-dihydroxy-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione

2-[(3-chlorophenyl)methyl]-8,9-dihydroxy-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione (PubChem CID 54684774) has the molecular formula C15H13ClN2O4 and a molecular weight of 320.73 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methyl]-8,9-dihydroxy-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methyl]-8,9-dihydroxy-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
PubChem CID54684774
Molecular FormulaC15H13ClN2O4
Molecular Weight320.73 g/mol
Exact Mass320.06
IUPAC Name2-[(3-chlorophenyl)methyl]-8,9-dihydroxy-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
SMILESO=C1c2c(O)c(O)cc(=O)n2CCN1Cc1cccc(Cl)c1
InChIInChI=1S/C15H13ClN2O4/c16-10-3-1-2-9(6-10)8-17-4-5-18-12(20)7-11(19)14(21)13(18)15(17)22/h1-3,6-7,19,21H,4-5,8H2
InChIKeyVPLYPNIQVTUPJL-UHFFFAOYSA-N
XLogP1.57
TPSA82.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.73
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methyl]-8,9-dihydroxy-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione?
The IUPAC name of 2-[(3-chlorophenyl)methyl]-8,9-dihydroxy-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione (CID 54684774) is 2-[(3-chlorophenyl)methyl]-8,9-dihydroxy-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione.
What is the SMILES notation for 2-[(3-chlorophenyl)methyl]-8,9-dihydroxy-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione?
The canonical SMILES for 2-[(3-chlorophenyl)methyl]-8,9-dihydroxy-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione is O=C1c2c(O)c(O)cc(=O)n2CCN1Cc1cccc(Cl)c1.
What is the InChIKey of 2-[(3-chlorophenyl)methyl]-8,9-dihydroxy-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione?
The InChIKey is VPLYPNIQVTUPJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O4/c16-10-3-1-2-9(6-10)8-17-4-5-18-12(20)7-11(19)14(21)13(18)15(17)22/h1-3,6-7,19,21H,4-5,8H2.
What are the key properties of 2-[(3-chlorophenyl)methyl]-8,9-dihydroxy-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione?
2-[(3-chlorophenyl)methyl]-8,9-dihydroxy-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione has a molecular weight of 320.73 g/mol, XLogP of 1.57, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methyl]-8,9-dihydroxy-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione is sourced from PubChem (CID 54684774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).