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

C18H16Cl2N2O3 — CID 54678877

IUPAC2-[(3,4-dichlorophenyl)methyl]-9-hydroxy-4-propylpyrido[1,2-a]pyrazine-1,8-dione
SMILESCCCc1cn(Cc2ccc(Cl)c(Cl)c2)c(=O)c2c(O)c(=O)ccn12
InChIInChI=1S/C18H16Cl2N2O3/c1-2-3-12-10-21(9-11-4-5-13(19)14(20)8-11)18(25)16-17(24)15(23)6-7-22(12)16/h4-8,10,24H,2-3,9H2,1H3
InChIKeyJPNWWYOFFLDYQY-UHFFFAOYSA-N
MW379.24 g/mol
LogP3.47
Rot. Bonds4

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

2-[(3,4-dichlorophenyl)methyl]-9-hydroxy-4-propylpyrido[1,2-a]pyrazine-1,8-dione (PubChem CID 54678877) has the molecular formula C18H16Cl2N2O3 and a molecular weight of 379.24 g/mol. Its IUPAC name is 2-[(3,4-dichlorophenyl)methyl]-9-hydroxy-4-propylpyrido[1,2-a]pyrazine-1,8-dione.

Molecular Properties

Compound Name2-[(3,4-dichlorophenyl)methyl]-9-hydroxy-4-propylpyrido[1,2-a]pyrazine-1,8-dione
PubChem CID54678877
Molecular FormulaC18H16Cl2N2O3
Molecular Weight379.24 g/mol
Exact Mass378.05
IUPAC Name2-[(3,4-dichlorophenyl)methyl]-9-hydroxy-4-propylpyrido[1,2-a]pyrazine-1,8-dione
SMILESCCCc1cn(Cc2ccc(Cl)c(Cl)c2)c(=O)c2c(O)c(=O)ccn12
InChIInChI=1S/C18H16Cl2N2O3/c1-2-3-12-10-21(9-11-4-5-13(19)14(20)8-11)18(25)16-17(24)15(23)6-7-22(12)16/h4-8,10,24H,2-3,9H2,1H3
InChIKeyJPNWWYOFFLDYQY-UHFFFAOYSA-N
XLogP3.47
TPSA63.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.24
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(3,4-dichlorophenyl)methyl]-9-hydroxy-4-propylpyrido[1,2-a]pyrazine-1,8-dione with MolForge

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Related Compounds

2-(3-benzylamino-2-oxo-1,2-dihydropyridin-1-yl)-N-(3,4-dichlorobenzyl)acetamide
CID 44241632
2-Oxo-1,2-dihydropyridin-3-yl amide derivative, 6t
CID 44473105
2-Oxo-1,2-dihydropyridin-3-yl amide derivative, 8t
CID 44473111
2-[3-[(3-chlorophenyl)methylamino]-2-oxo-1-pyridinyl]-N-[(3,4-dichlorophenyl)methyl]acetamide
CID 127028744
2-[3-[(4-chlorophenyl)methylamino]-2-oxo-1-pyridinyl]-N-[(3,4-dichlorophenyl)methyl]acetamide
CID 127028745
N-[(3,4-dichlorophenyl)methyl]-2-[3-[(3,4-dichlorophenyl)methylamino]-2-oxo-1-pyridinyl]acetamide
CID 127028748
US10202379, Reference Example 199
CID 67471671
2-[3-[(3,4-dichlorophenyl)methylamino]-2-oxo-1-pyridinyl]-N-(2-phenylethyl)acetamide
CID 127028737
2-[3-(benzylamino)-2-oxo-1-pyridinyl]-N-[2-(3,4-dichlorophenyl)ethyl]acetamide
CID 127028740
N-[(3,4-dichlorophenyl)methyl]-2-[2-oxo-3-(3-phenylpropylamino)-1-pyridinyl]acetamide
CID 127028742
N-benzyl-2-[3-[(3,4-dichlorophenyl)methylamino]-2-oxo-1-pyridinyl]acetamide
CID 127029041
2-[3-[(3,4-dichlorophenyl)methylamino]-2-oxo-1-pyridinyl]-N-propylacetamide
CID 127029042

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dichlorophenyl)methyl]-9-hydroxy-4-propylpyrido[1,2-a]pyrazine-1,8-dione?
The IUPAC name of 2-[(3,4-dichlorophenyl)methyl]-9-hydroxy-4-propylpyrido[1,2-a]pyrazine-1,8-dione (CID 54678877) is 2-[(3,4-dichlorophenyl)methyl]-9-hydroxy-4-propylpyrido[1,2-a]pyrazine-1,8-dione.
What is the SMILES notation for 2-[(3,4-dichlorophenyl)methyl]-9-hydroxy-4-propylpyrido[1,2-a]pyrazine-1,8-dione?
The canonical SMILES for 2-[(3,4-dichlorophenyl)methyl]-9-hydroxy-4-propylpyrido[1,2-a]pyrazine-1,8-dione is CCCc1cn(Cc2ccc(Cl)c(Cl)c2)c(=O)c2c(O)c(=O)ccn12.
What is the InChIKey of 2-[(3,4-dichlorophenyl)methyl]-9-hydroxy-4-propylpyrido[1,2-a]pyrazine-1,8-dione?
The InChIKey is JPNWWYOFFLDYQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N2O3/c1-2-3-12-10-21(9-11-4-5-13(19)14(20)8-11)18(25)16-17(24)15(23)6-7-22(12)16/h4-8,10,24H,2-3,9H2,1H3.
What are the key properties of 2-[(3,4-dichlorophenyl)methyl]-9-hydroxy-4-propylpyrido[1,2-a]pyrazine-1,8-dione?
2-[(3,4-dichlorophenyl)methyl]-9-hydroxy-4-propylpyrido[1,2-a]pyrazine-1,8-dione has a molecular weight of 379.24 g/mol, XLogP of 3.47, 4 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-hydroxy-4-propylpyrido[1,2-a]pyrazine-1,8-dione is sourced from PubChem (CID 54678877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).