7-amino-2-[(3-chlorophenyl)methyl]-9-hydroxypyrido[1,2-a]pyrazine-1,8-dione

C15H12ClN3O3 — CID 54683295

IUPAC7-amino-2-[(3-chlorophenyl)methyl]-9-hydroxypyrido[1,2-a]pyrazine-1,8-dione
SMILESNc1cn2ccn(Cc3cccc(Cl)c3)c(=O)c2c(O)c1=O
InChIInChI=1S/C15H12ClN3O3/c16-10-3-1-2-9(6-10)7-19-5-4-18-8-11(17)13(20)14(21)12(18)15(19)22/h1-6,8,21H,7,17H2
InChIKeyLZYMAHYDTSMQKX-UHFFFAOYSA-N
MW317.73 g/mol
LogP1.45
Rot. Bonds2

About 7-amino-2-[(3-chlorophenyl)methyl]-9-hydroxypyrido[1,2-a]pyrazine-1,8-dione

7-amino-2-[(3-chlorophenyl)methyl]-9-hydroxypyrido[1,2-a]pyrazine-1,8-dione (PubChem CID 54683295) has the molecular formula C15H12ClN3O3 and a molecular weight of 317.73 g/mol. Its IUPAC name is 7-amino-2-[(3-chlorophenyl)methyl]-9-hydroxypyrido[1,2-a]pyrazine-1,8-dione.

Molecular Properties

Compound Name7-amino-2-[(3-chlorophenyl)methyl]-9-hydroxypyrido[1,2-a]pyrazine-1,8-dione
PubChem CID54683295
Molecular FormulaC15H12ClN3O3
Molecular Weight317.73 g/mol
Exact Mass317.06
IUPAC Name7-amino-2-[(3-chlorophenyl)methyl]-9-hydroxypyrido[1,2-a]pyrazine-1,8-dione
SMILESNc1cn2ccn(Cc3cccc(Cl)c3)c(=O)c2c(O)c1=O
InChIInChI=1S/C15H12ClN3O3/c16-10-3-1-2-9(6-10)7-19-5-4-18-8-11(17)13(20)14(21)12(18)15(19)22/h1-6,8,21H,7,17H2
InChIKeyLZYMAHYDTSMQKX-UHFFFAOYSA-N
XLogP1.45
TPSA89.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.73
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-amino-2-[(3-chlorophenyl)methyl]-9-hydroxypyrido[1,2-a]pyrazine-1,8-dione?
The IUPAC name of 7-amino-2-[(3-chlorophenyl)methyl]-9-hydroxypyrido[1,2-a]pyrazine-1,8-dione (CID 54683295) is 7-amino-2-[(3-chlorophenyl)methyl]-9-hydroxypyrido[1,2-a]pyrazine-1,8-dione.
What is the SMILES notation for 7-amino-2-[(3-chlorophenyl)methyl]-9-hydroxypyrido[1,2-a]pyrazine-1,8-dione?
The canonical SMILES for 7-amino-2-[(3-chlorophenyl)methyl]-9-hydroxypyrido[1,2-a]pyrazine-1,8-dione is Nc1cn2ccn(Cc3cccc(Cl)c3)c(=O)c2c(O)c1=O.
What is the InChIKey of 7-amino-2-[(3-chlorophenyl)methyl]-9-hydroxypyrido[1,2-a]pyrazine-1,8-dione?
The InChIKey is LZYMAHYDTSMQKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O3/c16-10-3-1-2-9(6-10)7-19-5-4-18-8-11(17)13(20)14(21)12(18)15(19)22/h1-6,8,21H,7,17H2.
What are the key properties of 7-amino-2-[(3-chlorophenyl)methyl]-9-hydroxypyrido[1,2-a]pyrazine-1,8-dione?
7-amino-2-[(3-chlorophenyl)methyl]-9-hydroxypyrido[1,2-a]pyrazine-1,8-dione has a molecular weight of 317.73 g/mol, XLogP of 1.45, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-2-[(3-chlorophenyl)methyl]-9-hydroxypyrido[1,2-a]pyrazine-1,8-dione is sourced from PubChem (CID 54683295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).