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

C17H15ClN2O3 — CID 54683599

IUPAC2-[3-(2-chlorophenyl)propyl]-9-hydroxypyrido[1,2-a]pyrazine-1,8-dione
SMILESO=c1ccn2ccn(CCCc3ccccc3Cl)c(=O)c2c1O
InChIInChI=1S/C17H15ClN2O3/c18-13-6-2-1-4-12(13)5-3-8-20-11-10-19-9-7-14(21)16(22)15(19)17(20)23/h1-2,4,6-7,9-11,22H,3,5,8H2
InChIKeyJODXFFJTTHMNPS-UHFFFAOYSA-N
MW330.77 g/mol
LogP2.45
Rot. Bonds4

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

2-[3-(2-chlorophenyl)propyl]-9-hydroxypyrido[1,2-a]pyrazine-1,8-dione (PubChem CID 54683599) has the molecular formula C17H15ClN2O3 and a molecular weight of 330.77 g/mol. Its IUPAC name is 2-[3-(2-chlorophenyl)propyl]-9-hydroxypyrido[1,2-a]pyrazine-1,8-dione.

Molecular Properties

Compound Name2-[3-(2-chlorophenyl)propyl]-9-hydroxypyrido[1,2-a]pyrazine-1,8-dione
PubChem CID54683599
Molecular FormulaC17H15ClN2O3
Molecular Weight330.77 g/mol
Exact Mass330.08
IUPAC Name2-[3-(2-chlorophenyl)propyl]-9-hydroxypyrido[1,2-a]pyrazine-1,8-dione
SMILESO=c1ccn2ccn(CCCc3ccccc3Cl)c(=O)c2c1O
InChIInChI=1S/C17H15ClN2O3/c18-13-6-2-1-4-12(13)5-3-8-20-11-10-19-9-7-14(21)16(22)15(19)17(20)23/h1-2,4,6-7,9-11,22H,3,5,8H2
InChIKeyJODXFFJTTHMNPS-UHFFFAOYSA-N
XLogP2.45
TPSA63.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.77
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-chlorophenyl)propyl]-9-hydroxypyrido[1,2-a]pyrazine-1,8-dione?
The IUPAC name of 2-[3-(2-chlorophenyl)propyl]-9-hydroxypyrido[1,2-a]pyrazine-1,8-dione (CID 54683599) is 2-[3-(2-chlorophenyl)propyl]-9-hydroxypyrido[1,2-a]pyrazine-1,8-dione.
What is the SMILES notation for 2-[3-(2-chlorophenyl)propyl]-9-hydroxypyrido[1,2-a]pyrazine-1,8-dione?
The canonical SMILES for 2-[3-(2-chlorophenyl)propyl]-9-hydroxypyrido[1,2-a]pyrazine-1,8-dione is O=c1ccn2ccn(CCCc3ccccc3Cl)c(=O)c2c1O.
What is the InChIKey of 2-[3-(2-chlorophenyl)propyl]-9-hydroxypyrido[1,2-a]pyrazine-1,8-dione?
The InChIKey is JODXFFJTTHMNPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O3/c18-13-6-2-1-4-12(13)5-3-8-20-11-10-19-9-7-14(21)16(22)15(19)17(20)23/h1-2,4,6-7,9-11,22H,3,5,8H2.
What are the key properties of 2-[3-(2-chlorophenyl)propyl]-9-hydroxypyrido[1,2-a]pyrazine-1,8-dione?
2-[3-(2-chlorophenyl)propyl]-9-hydroxypyrido[1,2-a]pyrazine-1,8-dione has a molecular weight of 330.77 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-chlorophenyl)propyl]-9-hydroxypyrido[1,2-a]pyrazine-1,8-dione is sourced from PubChem (CID 54683599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).