2-[(3-chlorophenyl)methyl]-9-hydroxy-7-pyrimidin-4-ylpyrido[1,2-a]pyrazine-1,8-dione

C19H13ClN4O3 — CID 54683579

IUPAC2-[(3-chlorophenyl)methyl]-9-hydroxy-7-pyrimidin-4-ylpyrido[1,2-a]pyrazine-1,8-dione
SMILESO=c1c(-c2ccncn2)cn2ccn(Cc3cccc(Cl)c3)c(=O)c2c1O
InChIInChI=1S/C19H13ClN4O3/c20-13-3-1-2-12(8-13)9-24-7-6-23-10-14(15-4-5-21-11-22-15)17(25)18(26)16(23)19(24)27/h1-8,10-11,26H,9H2
InChIKeyQGFQEMRECMDWMT-UHFFFAOYSA-N
MW380.79 g/mol
LogP2.33
Rot. Bonds3

About 2-[(3-chlorophenyl)methyl]-9-hydroxy-7-pyrimidin-4-ylpyrido[1,2-a]pyrazine-1,8-dione

2-[(3-chlorophenyl)methyl]-9-hydroxy-7-pyrimidin-4-ylpyrido[1,2-a]pyrazine-1,8-dione (PubChem CID 54683579) has the molecular formula C19H13ClN4O3 and a molecular weight of 380.79 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methyl]-9-hydroxy-7-pyrimidin-4-ylpyrido[1,2-a]pyrazine-1,8-dione.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methyl]-9-hydroxy-7-pyrimidin-4-ylpyrido[1,2-a]pyrazine-1,8-dione
PubChem CID54683579
Molecular FormulaC19H13ClN4O3
Molecular Weight380.79 g/mol
Exact Mass380.07
IUPAC Name2-[(3-chlorophenyl)methyl]-9-hydroxy-7-pyrimidin-4-ylpyrido[1,2-a]pyrazine-1,8-dione
SMILESO=c1c(-c2ccncn2)cn2ccn(Cc3cccc(Cl)c3)c(=O)c2c1O
InChIInChI=1S/C19H13ClN4O3/c20-13-3-1-2-12(8-13)9-24-7-6-23-10-14(15-4-5-21-11-22-15)17(25)18(26)16(23)19(24)27/h1-8,10-11,26H,9H2
InChIKeyQGFQEMRECMDWMT-UHFFFAOYSA-N
XLogP2.33
TPSA89.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.79
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methyl]-9-hydroxy-7-pyrimidin-4-ylpyrido[1,2-a]pyrazine-1,8-dione?
The IUPAC name of 2-[(3-chlorophenyl)methyl]-9-hydroxy-7-pyrimidin-4-ylpyrido[1,2-a]pyrazine-1,8-dione (CID 54683579) is 2-[(3-chlorophenyl)methyl]-9-hydroxy-7-pyrimidin-4-ylpyrido[1,2-a]pyrazine-1,8-dione.
What is the SMILES notation for 2-[(3-chlorophenyl)methyl]-9-hydroxy-7-pyrimidin-4-ylpyrido[1,2-a]pyrazine-1,8-dione?
The canonical SMILES for 2-[(3-chlorophenyl)methyl]-9-hydroxy-7-pyrimidin-4-ylpyrido[1,2-a]pyrazine-1,8-dione is O=c1c(-c2ccncn2)cn2ccn(Cc3cccc(Cl)c3)c(=O)c2c1O.
What is the InChIKey of 2-[(3-chlorophenyl)methyl]-9-hydroxy-7-pyrimidin-4-ylpyrido[1,2-a]pyrazine-1,8-dione?
The InChIKey is QGFQEMRECMDWMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN4O3/c20-13-3-1-2-12(8-13)9-24-7-6-23-10-14(15-4-5-21-11-22-15)17(25)18(26)16(23)19(24)27/h1-8,10-11,26H,9H2.
What are the key properties of 2-[(3-chlorophenyl)methyl]-9-hydroxy-7-pyrimidin-4-ylpyrido[1,2-a]pyrazine-1,8-dione?
2-[(3-chlorophenyl)methyl]-9-hydroxy-7-pyrimidin-4-ylpyrido[1,2-a]pyrazine-1,8-dione has a molecular weight of 380.79 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methyl]-9-hydroxy-7-pyrimidin-4-ylpyrido[1,2-a]pyrazine-1,8-dione is sourced from PubChem (CID 54683579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).