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

C15H11ClN2O3 — CID 54683582

IUPAC2-[(4-chlorophenyl)methyl]-9-hydroxypyrido[1,2-a]pyrazine-1,8-dione
SMILESO=c1ccn2ccn(Cc3ccc(Cl)cc3)c(=O)c2c1O
InChIInChI=1S/C15H11ClN2O3/c16-11-3-1-10(2-4-11)9-18-8-7-17-6-5-12(19)14(20)13(17)15(18)21/h1-8,20H,9H2
InChIKeyQKONLXQIQGOYDE-UHFFFAOYSA-N
MW302.72 g/mol
LogP1.87
Rot. Bonds2

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

2-[(4-chlorophenyl)methyl]-9-hydroxypyrido[1,2-a]pyrazine-1,8-dione (PubChem CID 54683582) has the molecular formula C15H11ClN2O3 and a molecular weight of 302.72 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl]-9-hydroxypyrido[1,2-a]pyrazine-1,8-dione.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl]-9-hydroxypyrido[1,2-a]pyrazine-1,8-dione
PubChem CID54683582
Molecular FormulaC15H11ClN2O3
Molecular Weight302.72 g/mol
Exact Mass302.05
IUPAC Name2-[(4-chlorophenyl)methyl]-9-hydroxypyrido[1,2-a]pyrazine-1,8-dione
SMILESO=c1ccn2ccn(Cc3ccc(Cl)cc3)c(=O)c2c1O
InChIInChI=1S/C15H11ClN2O3/c16-11-3-1-10(2-4-11)9-18-8-7-17-6-5-12(19)14(20)13(17)15(18)21/h1-8,20H,9H2
InChIKeyQKONLXQIQGOYDE-UHFFFAOYSA-N
XLogP1.87
TPSA63.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.72
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl]-9-hydroxypyrido[1,2-a]pyrazine-1,8-dione?
The IUPAC name of 2-[(4-chlorophenyl)methyl]-9-hydroxypyrido[1,2-a]pyrazine-1,8-dione (CID 54683582) is 2-[(4-chlorophenyl)methyl]-9-hydroxypyrido[1,2-a]pyrazine-1,8-dione.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl]-9-hydroxypyrido[1,2-a]pyrazine-1,8-dione?
The canonical SMILES for 2-[(4-chlorophenyl)methyl]-9-hydroxypyrido[1,2-a]pyrazine-1,8-dione is O=c1ccn2ccn(Cc3ccc(Cl)cc3)c(=O)c2c1O.
What is the InChIKey of 2-[(4-chlorophenyl)methyl]-9-hydroxypyrido[1,2-a]pyrazine-1,8-dione?
The InChIKey is QKONLXQIQGOYDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O3/c16-11-3-1-10(2-4-11)9-18-8-7-17-6-5-12(19)14(20)13(17)15(18)21/h1-8,20H,9H2.
What are the key properties of 2-[(4-chlorophenyl)methyl]-9-hydroxypyrido[1,2-a]pyrazine-1,8-dione?
2-[(4-chlorophenyl)methyl]-9-hydroxypyrido[1,2-a]pyrazine-1,8-dione has a molecular weight of 302.72 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methyl]-9-hydroxypyrido[1,2-a]pyrazine-1,8-dione is sourced from PubChem (CID 54683582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).