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

C17H14Cl2N2O3 — CID 54683540

IUPAC2-[(3,4-dichlorophenyl)methyl]-4-ethyl-9-hydroxypyrido[1,2-a]pyrazine-1,8-dione
SMILESCCc1cn(Cc2ccc(Cl)c(Cl)c2)c(=O)c2c(O)c(=O)ccn12
InChIInChI=1S/C17H14Cl2N2O3/c1-2-11-9-20(8-10-3-4-12(18)13(19)7-10)17(24)15-16(23)14(22)5-6-21(11)15/h3-7,9,23H,2,8H2,1H3
InChIKeyPKUPLEYEFUIWAW-UHFFFAOYSA-N
MW365.22 g/mol
LogP3.08
Rot. Bonds3

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

2-[(3,4-dichlorophenyl)methyl]-4-ethyl-9-hydroxypyrido[1,2-a]pyrazine-1,8-dione (PubChem CID 54683540) has the molecular formula C17H14Cl2N2O3 and a molecular weight of 365.22 g/mol. Its IUPAC name is 2-[(3,4-dichlorophenyl)methyl]-4-ethyl-9-hydroxypyrido[1,2-a]pyrazine-1,8-dione.

Molecular Properties

Compound Name2-[(3,4-dichlorophenyl)methyl]-4-ethyl-9-hydroxypyrido[1,2-a]pyrazine-1,8-dione
PubChem CID54683540
Molecular FormulaC17H14Cl2N2O3
Molecular Weight365.22 g/mol
Exact Mass364.04
IUPAC Name2-[(3,4-dichlorophenyl)methyl]-4-ethyl-9-hydroxypyrido[1,2-a]pyrazine-1,8-dione
SMILESCCc1cn(Cc2ccc(Cl)c(Cl)c2)c(=O)c2c(O)c(=O)ccn12
InChIInChI=1S/C17H14Cl2N2O3/c1-2-11-9-20(8-10-3-4-12(18)13(19)7-10)17(24)15-16(23)14(22)5-6-21(11)15/h3-7,9,23H,2,8H2,1H3
InChIKeyPKUPLEYEFUIWAW-UHFFFAOYSA-N
XLogP3.08
TPSA63.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.22
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dichlorophenyl)methyl]-4-ethyl-9-hydroxypyrido[1,2-a]pyrazine-1,8-dione?
The IUPAC name of 2-[(3,4-dichlorophenyl)methyl]-4-ethyl-9-hydroxypyrido[1,2-a]pyrazine-1,8-dione (CID 54683540) is 2-[(3,4-dichlorophenyl)methyl]-4-ethyl-9-hydroxypyrido[1,2-a]pyrazine-1,8-dione.
What is the SMILES notation for 2-[(3,4-dichlorophenyl)methyl]-4-ethyl-9-hydroxypyrido[1,2-a]pyrazine-1,8-dione?
The canonical SMILES for 2-[(3,4-dichlorophenyl)methyl]-4-ethyl-9-hydroxypyrido[1,2-a]pyrazine-1,8-dione is CCc1cn(Cc2ccc(Cl)c(Cl)c2)c(=O)c2c(O)c(=O)ccn12.
What is the InChIKey of 2-[(3,4-dichlorophenyl)methyl]-4-ethyl-9-hydroxypyrido[1,2-a]pyrazine-1,8-dione?
The InChIKey is PKUPLEYEFUIWAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N2O3/c1-2-11-9-20(8-10-3-4-12(18)13(19)7-10)17(24)15-16(23)14(22)5-6-21(11)15/h3-7,9,23H,2,8H2,1H3.
What are the key properties of 2-[(3,4-dichlorophenyl)methyl]-4-ethyl-9-hydroxypyrido[1,2-a]pyrazine-1,8-dione?
2-[(3,4-dichlorophenyl)methyl]-4-ethyl-9-hydroxypyrido[1,2-a]pyrazine-1,8-dione has a molecular weight of 365.22 g/mol, XLogP of 3.08, 3 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]-4-ethyl-9-hydroxypyrido[1,2-a]pyrazine-1,8-dione is sourced from PubChem (CID 54683540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).