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

C15H12Cl2N2O3 — CID 54683361

IUPAC2-[(3,4-dichlorophenyl)methyl]-9-hydroxy-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione
SMILESO=C1c2c(O)c(=O)ccn2CCN1Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H12Cl2N2O3/c16-10-2-1-9(7-11(10)17)8-19-6-5-18-4-3-12(20)14(21)13(18)15(19)22/h1-4,7,21H,5-6,8H2
InChIKeyHCILOGLPSNOXFO-UHFFFAOYSA-N
MW339.18 g/mol
LogP2.52
Rot. Bonds2

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

2-[(3,4-dichlorophenyl)methyl]-9-hydroxy-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione (PubChem CID 54683361) has the molecular formula C15H12Cl2N2O3 and a molecular weight of 339.18 g/mol. Its IUPAC name is 2-[(3,4-dichlorophenyl)methyl]-9-hydroxy-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione.

Molecular Properties

Compound Name2-[(3,4-dichlorophenyl)methyl]-9-hydroxy-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione
PubChem CID54683361
Molecular FormulaC15H12Cl2N2O3
Molecular Weight339.18 g/mol
Exact Mass338.02
IUPAC Name2-[(3,4-dichlorophenyl)methyl]-9-hydroxy-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione
SMILESO=C1c2c(O)c(=O)ccn2CCN1Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H12Cl2N2O3/c16-10-2-1-9(7-11(10)17)8-19-6-5-18-4-3-12(20)14(21)13(18)15(19)22/h1-4,7,21H,5-6,8H2
InChIKeyHCILOGLPSNOXFO-UHFFFAOYSA-N
XLogP2.52
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.18
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2,4-dichlorophenyl)methyl]-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one
CID 129165316
2-[(2,6-dichlorophenyl)methyl]-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one
CID 129165356
2-[(2-chlorophenyl)methyl]-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one
CID 129165458
US10202379, Reference Example 199
CID 67471671
2-[(3,4-Dichlorophenyl)methyl]-9-hydroxy-4-(2-methylsulfanylethyl)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione
CID 54677657
2-[(3-Chlorophenyl)methyl]-9-hydroxy-4-isopropyl-pyrido[1,2-a]pyrazine-1,8-dione
CID 54677948
2-[(3,4-Dichlorophenyl)methyl]-9-hydroxy-4-propyl-pyrido[1,2-a]pyrazine-1,8-dione
CID 54678877
4-Benzyl-2-[(3,4-dichlorophenyl)methyl]-9-hydroxy-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione
CID 54678890
3-Benzyl-2-[(3,4-dichlorophenyl)methyl]-9-hydroxy-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione
CID 54680886
2-[(3,4-Dichlorophenyl)methyl]-9-hydroxy-4-(hydroxymethyl)pyrido[1,2-a]pyrazine-1,8-dione
CID 54681834
2-[(3,4-Dichlorophenyl)methyl]-9-hydroxy-4-(2-hydroxyethyl)pyrido[1,2-a]pyrazine-1,8-dione
CID 54683283
7-Amino-2-[(3-chlorophenyl)methyl]-9-hydroxy-pyrido[1,2-a]pyrazine-1,8-dione
CID 54683295

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dichlorophenyl)methyl]-9-hydroxy-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione?
The IUPAC name of 2-[(3,4-dichlorophenyl)methyl]-9-hydroxy-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione (CID 54683361) is 2-[(3,4-dichlorophenyl)methyl]-9-hydroxy-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione.
What is the SMILES notation for 2-[(3,4-dichlorophenyl)methyl]-9-hydroxy-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione?
The canonical SMILES for 2-[(3,4-dichlorophenyl)methyl]-9-hydroxy-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione is O=C1c2c(O)c(=O)ccn2CCN1Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-[(3,4-dichlorophenyl)methyl]-9-hydroxy-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione?
The InChIKey is HCILOGLPSNOXFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N2O3/c16-10-2-1-9(7-11(10)17)8-19-6-5-18-4-3-12(20)14(21)13(18)15(19)22/h1-4,7,21H,5-6,8H2.
What are the key properties of 2-[(3,4-dichlorophenyl)methyl]-9-hydroxy-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione?
2-[(3,4-dichlorophenyl)methyl]-9-hydroxy-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione has a molecular weight of 339.18 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dichlorophenyl)methyl]-9-hydroxy-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione is sourced from PubChem (CID 54683361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).