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

C22H18Cl2N2O3 — CID 54680886

IUPAC3-benzyl-2-[(3,4-dichlorophenyl)methyl]-9-hydroxy-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione
SMILESO=C1c2c(O)c(=O)ccn2CC(Cc2ccccc2)N1Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C22H18Cl2N2O3/c23-17-7-6-15(11-18(17)24)12-26-16(10-14-4-2-1-3-5-14)13-25-9-8-19(27)21(28)20(25)22(26)29/h1-9,11,16,28H,10,12-13H2
InChIKeyHSGWRPCJSRFWER-UHFFFAOYSA-N
MW429.30 g/mol
LogP4.13
Rot. Bonds4

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

3-benzyl-2-[(3,4-dichlorophenyl)methyl]-9-hydroxy-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione (PubChem CID 54680886) has the molecular formula C22H18Cl2N2O3 and a molecular weight of 429.30 g/mol. Its IUPAC name is 3-benzyl-2-[(3,4-dichlorophenyl)methyl]-9-hydroxy-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione.

Molecular Properties

Compound Name3-benzyl-2-[(3,4-dichlorophenyl)methyl]-9-hydroxy-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione
PubChem CID54680886
Molecular FormulaC22H18Cl2N2O3
Molecular Weight429.30 g/mol
Exact Mass428.07
IUPAC Name3-benzyl-2-[(3,4-dichlorophenyl)methyl]-9-hydroxy-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione
SMILESO=C1c2c(O)c(=O)ccn2CC(Cc2ccccc2)N1Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C22H18Cl2N2O3/c23-17-7-6-15(11-18(17)24)12-26-16(10-14-4-2-1-3-5-14)13-25-9-8-19(27)21(28)20(25)22(26)29/h1-9,11,16,28H,10,12-13H2
InChIKeyHSGWRPCJSRFWER-UHFFFAOYSA-N
XLogP4.13
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.30
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-2-[(3,4-dichlorophenyl)methyl]-9-hydroxy-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione?
The IUPAC name of 3-benzyl-2-[(3,4-dichlorophenyl)methyl]-9-hydroxy-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione (CID 54680886) is 3-benzyl-2-[(3,4-dichlorophenyl)methyl]-9-hydroxy-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione.
What is the SMILES notation for 3-benzyl-2-[(3,4-dichlorophenyl)methyl]-9-hydroxy-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione?
The canonical SMILES for 3-benzyl-2-[(3,4-dichlorophenyl)methyl]-9-hydroxy-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione is O=C1c2c(O)c(=O)ccn2CC(Cc2ccccc2)N1Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3-benzyl-2-[(3,4-dichlorophenyl)methyl]-9-hydroxy-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione?
The InChIKey is HSGWRPCJSRFWER-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18Cl2N2O3/c23-17-7-6-15(11-18(17)24)12-26-16(10-14-4-2-1-3-5-14)13-25-9-8-19(27)21(28)20(25)22(26)29/h1-9,11,16,28H,10,12-13H2.
What are the key properties of 3-benzyl-2-[(3,4-dichlorophenyl)methyl]-9-hydroxy-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione?
3-benzyl-2-[(3,4-dichlorophenyl)methyl]-9-hydroxy-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione has a molecular weight of 429.30 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-2-[(3,4-dichlorophenyl)methyl]-9-hydroxy-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione is sourced from PubChem (CID 54680886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).