6-benzoyl-2-[(3,4-dichlorophenyl)methyl]-9-hydroxy-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione

C22H16Cl2N2O4 — CID 54683315

IUPAC6-benzoyl-2-[(3,4-dichlorophenyl)methyl]-9-hydroxy-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione
SMILESO=C(c1ccccc1)c1cc(=O)c(O)c2n1CCN(Cc1ccc(Cl)c(Cl)c1)C2=O
InChIInChI=1S/C22H16Cl2N2O4/c23-15-7-6-13(10-16(15)24)12-25-8-9-26-17(20(28)14-4-2-1-3-5-14)11-18(27)21(29)19(26)22(25)30/h1-7,10-11,29H,8-9,12H2
InChIKeyUUGZWDHBJISXJZ-UHFFFAOYSA-N
MW443.29 g/mol
LogP3.75
Rot. Bonds4

About 6-benzoyl-2-[(3,4-dichlorophenyl)methyl]-9-hydroxy-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione

6-benzoyl-2-[(3,4-dichlorophenyl)methyl]-9-hydroxy-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione (PubChem CID 54683315) has the molecular formula C22H16Cl2N2O4 and a molecular weight of 443.29 g/mol. Its IUPAC name is 6-benzoyl-2-[(3,4-dichlorophenyl)methyl]-9-hydroxy-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione.

Molecular Properties

Compound Name6-benzoyl-2-[(3,4-dichlorophenyl)methyl]-9-hydroxy-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione
PubChem CID54683315
Molecular FormulaC22H16Cl2N2O4
Molecular Weight443.29 g/mol
Exact Mass442.05
IUPAC Name6-benzoyl-2-[(3,4-dichlorophenyl)methyl]-9-hydroxy-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione
SMILESO=C(c1ccccc1)c1cc(=O)c(O)c2n1CCN(Cc1ccc(Cl)c(Cl)c1)C2=O
InChIInChI=1S/C22H16Cl2N2O4/c23-15-7-6-13(10-16(15)24)12-25-8-9-26-17(20(28)14-4-2-1-3-5-14)11-18(27)21(29)19(26)22(25)30/h1-7,10-11,29H,8-9,12H2
InChIKeyUUGZWDHBJISXJZ-UHFFFAOYSA-N
XLogP3.75
TPSA79.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.29
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-benzoyl-2-[(3,4-dichlorophenyl)methyl]-9-hydroxy-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione?
The IUPAC name of 6-benzoyl-2-[(3,4-dichlorophenyl)methyl]-9-hydroxy-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione (CID 54683315) is 6-benzoyl-2-[(3,4-dichlorophenyl)methyl]-9-hydroxy-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione.
What is the SMILES notation for 6-benzoyl-2-[(3,4-dichlorophenyl)methyl]-9-hydroxy-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione?
The canonical SMILES for 6-benzoyl-2-[(3,4-dichlorophenyl)methyl]-9-hydroxy-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione is O=C(c1ccccc1)c1cc(=O)c(O)c2n1CCN(Cc1ccc(Cl)c(Cl)c1)C2=O.
What is the InChIKey of 6-benzoyl-2-[(3,4-dichlorophenyl)methyl]-9-hydroxy-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione?
The InChIKey is UUGZWDHBJISXJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16Cl2N2O4/c23-15-7-6-13(10-16(15)24)12-25-8-9-26-17(20(28)14-4-2-1-3-5-14)11-18(27)21(29)19(26)22(25)30/h1-7,10-11,29H,8-9,12H2.
What are the key properties of 6-benzoyl-2-[(3,4-dichlorophenyl)methyl]-9-hydroxy-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione?
6-benzoyl-2-[(3,4-dichlorophenyl)methyl]-9-hydroxy-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione has a molecular weight of 443.29 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzoyl-2-[(3,4-dichlorophenyl)methyl]-9-hydroxy-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione is sourced from PubChem (CID 54683315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).