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

C15H10Cl2N2O3 — CID 54683654

IUPAC2-[(3,4-dichlorophenyl)methyl]-9-hydroxypyrido[1,2-a]pyrazine-1,8-dione
SMILESO=c1ccn2ccn(Cc3ccc(Cl)c(Cl)c3)c(=O)c2c1O
InChIInChI=1S/C15H10Cl2N2O3/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/h1-7,21H,8H2
InChIKeyQQQGQPABKLAUHN-UHFFFAOYSA-N
MW337.16 g/mol
LogP2.52
Rot. Bonds2

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

2-[(3,4-dichlorophenyl)methyl]-9-hydroxypyrido[1,2-a]pyrazine-1,8-dione (PubChem CID 54683654) has the molecular formula C15H10Cl2N2O3 and a molecular weight of 337.16 g/mol. Its IUPAC name is 2-[(3,4-dichlorophenyl)methyl]-9-hydroxypyrido[1,2-a]pyrazine-1,8-dione.

Molecular Properties

Compound Name2-[(3,4-dichlorophenyl)methyl]-9-hydroxypyrido[1,2-a]pyrazine-1,8-dione
PubChem CID54683654
Molecular FormulaC15H10Cl2N2O3
Molecular Weight337.16 g/mol
Exact Mass336.01
IUPAC Name2-[(3,4-dichlorophenyl)methyl]-9-hydroxypyrido[1,2-a]pyrazine-1,8-dione
SMILESO=c1ccn2ccn(Cc3ccc(Cl)c(Cl)c3)c(=O)c2c1O
InChIInChI=1S/C15H10Cl2N2O3/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/h1-7,21H,8H2
InChIKeyQQQGQPABKLAUHN-UHFFFAOYSA-N
XLogP2.52
TPSA63.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.16
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-Oxo-1,2-dihydropyridin-3-yl amide derivative, 8t
CID 44473111
US10202379, Reference Example 199
CID 67471671
3-[(3,4-Dichlorophenyl)methylamino]-1-methylpyridin-2-one
CID 137636934
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-hydroxypyrido[1,2-a]pyrazine-1,8-dione?
The IUPAC name of 2-[(3,4-dichlorophenyl)methyl]-9-hydroxypyrido[1,2-a]pyrazine-1,8-dione (CID 54683654) is 2-[(3,4-dichlorophenyl)methyl]-9-hydroxypyrido[1,2-a]pyrazine-1,8-dione.
What is the SMILES notation for 2-[(3,4-dichlorophenyl)methyl]-9-hydroxypyrido[1,2-a]pyrazine-1,8-dione?
The canonical SMILES for 2-[(3,4-dichlorophenyl)methyl]-9-hydroxypyrido[1,2-a]pyrazine-1,8-dione is O=c1ccn2ccn(Cc3ccc(Cl)c(Cl)c3)c(=O)c2c1O.
What is the InChIKey of 2-[(3,4-dichlorophenyl)methyl]-9-hydroxypyrido[1,2-a]pyrazine-1,8-dione?
The InChIKey is QQQGQPABKLAUHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N2O3/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/h1-7,21H,8H2.
What are the key properties of 2-[(3,4-dichlorophenyl)methyl]-9-hydroxypyrido[1,2-a]pyrazine-1,8-dione?
2-[(3,4-dichlorophenyl)methyl]-9-hydroxypyrido[1,2-a]pyrazine-1,8-dione has a molecular weight of 337.16 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dichlorophenyl)methyl]-9-hydroxypyrido[1,2-a]pyrazine-1,8-dione is sourced from PubChem (CID 54683654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).