2-[(3-chlorophenyl)methyl]-9-hydroxy-4-propan-2-ylpyrido[1,2-a]pyrazine-1,8-dione

C18H17ClN2O3 — CID 54677948

IUPAC2-[(3-chlorophenyl)methyl]-9-hydroxy-4-propan-2-ylpyrido[1,2-a]pyrazine-1,8-dione
SMILESCC(C)c1cn(Cc2cccc(Cl)c2)c(=O)c2c(O)c(=O)ccn12
InChIInChI=1S/C18H17ClN2O3/c1-11(2)14-10-20(9-12-4-3-5-13(19)8-12)18(24)16-17(23)15(22)6-7-21(14)16/h3-8,10-11,23H,9H2,1-2H3
InChIKeySUCTWFCDXHIYPO-UHFFFAOYSA-N
MW344.80 g/mol
LogP2.99
Rot. Bonds3

About 2-[(3-chlorophenyl)methyl]-9-hydroxy-4-propan-2-ylpyrido[1,2-a]pyrazine-1,8-dione

2-[(3-chlorophenyl)methyl]-9-hydroxy-4-propan-2-ylpyrido[1,2-a]pyrazine-1,8-dione (PubChem CID 54677948) has the molecular formula C18H17ClN2O3 and a molecular weight of 344.80 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methyl]-9-hydroxy-4-propan-2-ylpyrido[1,2-a]pyrazine-1,8-dione.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methyl]-9-hydroxy-4-propan-2-ylpyrido[1,2-a]pyrazine-1,8-dione
PubChem CID54677948
Molecular FormulaC18H17ClN2O3
Molecular Weight344.80 g/mol
Exact Mass344.09
IUPAC Name2-[(3-chlorophenyl)methyl]-9-hydroxy-4-propan-2-ylpyrido[1,2-a]pyrazine-1,8-dione
SMILESCC(C)c1cn(Cc2cccc(Cl)c2)c(=O)c2c(O)c(=O)ccn12
InChIInChI=1S/C18H17ClN2O3/c1-11(2)14-10-20(9-12-4-3-5-13(19)8-12)18(24)16-17(23)15(22)6-7-21(14)16/h3-8,10-11,23H,9H2,1-2H3
InChIKeySUCTWFCDXHIYPO-UHFFFAOYSA-N
XLogP2.99
TPSA63.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.80
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methyl]-9-hydroxy-4-propan-2-ylpyrido[1,2-a]pyrazine-1,8-dione?
The IUPAC name of 2-[(3-chlorophenyl)methyl]-9-hydroxy-4-propan-2-ylpyrido[1,2-a]pyrazine-1,8-dione (CID 54677948) is 2-[(3-chlorophenyl)methyl]-9-hydroxy-4-propan-2-ylpyrido[1,2-a]pyrazine-1,8-dione.
What is the SMILES notation for 2-[(3-chlorophenyl)methyl]-9-hydroxy-4-propan-2-ylpyrido[1,2-a]pyrazine-1,8-dione?
The canonical SMILES for 2-[(3-chlorophenyl)methyl]-9-hydroxy-4-propan-2-ylpyrido[1,2-a]pyrazine-1,8-dione is CC(C)c1cn(Cc2cccc(Cl)c2)c(=O)c2c(O)c(=O)ccn12.
What is the InChIKey of 2-[(3-chlorophenyl)methyl]-9-hydroxy-4-propan-2-ylpyrido[1,2-a]pyrazine-1,8-dione?
The InChIKey is SUCTWFCDXHIYPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O3/c1-11(2)14-10-20(9-12-4-3-5-13(19)8-12)18(24)16-17(23)15(22)6-7-21(14)16/h3-8,10-11,23H,9H2,1-2H3.
What are the key properties of 2-[(3-chlorophenyl)methyl]-9-hydroxy-4-propan-2-ylpyrido[1,2-a]pyrazine-1,8-dione?
2-[(3-chlorophenyl)methyl]-9-hydroxy-4-propan-2-ylpyrido[1,2-a]pyrazine-1,8-dione has a molecular weight of 344.80 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methyl]-9-hydroxy-4-propan-2-ylpyrido[1,2-a]pyrazine-1,8-dione is sourced from PubChem (CID 54677948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).