7-bromo-2-[(4-fluorophenyl)methyl]-9-methoxy-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione

C16H14BrFN2O3 — CID 143248052

IUPAC7-bromo-2-[(4-fluorophenyl)methyl]-9-methoxy-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione
SMILESCOc1c2n(cc(Br)c1=O)CCN(Cc1ccc(F)cc1)C2=O
InChIInChI=1S/C16H14BrFN2O3/c1-23-15-13-16(22)20(8-10-2-4-11(18)5-3-10)7-6-19(13)9-12(17)14(15)21/h2-5,9H,6-8H2,1H3
InChIKeyPSEHEJXIXJDBFD-UHFFFAOYSA-N
MW381.20 g/mol
LogP2.41
Rot. Bonds3

About 7-bromo-2-[(4-fluorophenyl)methyl]-9-methoxy-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione

7-bromo-2-[(4-fluorophenyl)methyl]-9-methoxy-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione (PubChem CID 143248052) has the molecular formula C16H14BrFN2O3 and a molecular weight of 381.20 g/mol. Its IUPAC name is 7-bromo-2-[(4-fluorophenyl)methyl]-9-methoxy-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione.

Molecular Properties

Compound Name7-bromo-2-[(4-fluorophenyl)methyl]-9-methoxy-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione
PubChem CID143248052
Molecular FormulaC16H14BrFN2O3
Molecular Weight381.20 g/mol
Exact Mass380.02
IUPAC Name7-bromo-2-[(4-fluorophenyl)methyl]-9-methoxy-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione
SMILESCOc1c2n(cc(Br)c1=O)CCN(Cc1ccc(F)cc1)C2=O
InChIInChI=1S/C16H14BrFN2O3/c1-23-15-13-16(22)20(8-10-2-4-11(18)5-3-10)7-6-19(13)9-12(17)14(15)21/h2-5,9H,6-8H2,1H3
InChIKeyPSEHEJXIXJDBFD-UHFFFAOYSA-N
XLogP2.41
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.20
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-[(4-fluorophenyl)methyl]-9-methoxy-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione?
The IUPAC name of 7-bromo-2-[(4-fluorophenyl)methyl]-9-methoxy-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione (CID 143248052) is 7-bromo-2-[(4-fluorophenyl)methyl]-9-methoxy-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione.
What is the SMILES notation for 7-bromo-2-[(4-fluorophenyl)methyl]-9-methoxy-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione?
The canonical SMILES for 7-bromo-2-[(4-fluorophenyl)methyl]-9-methoxy-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione is COc1c2n(cc(Br)c1=O)CCN(Cc1ccc(F)cc1)C2=O.
What is the InChIKey of 7-bromo-2-[(4-fluorophenyl)methyl]-9-methoxy-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione?
The InChIKey is PSEHEJXIXJDBFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrFN2O3/c1-23-15-13-16(22)20(8-10-2-4-11(18)5-3-10)7-6-19(13)9-12(17)14(15)21/h2-5,9H,6-8H2,1H3.
What are the key properties of 7-bromo-2-[(4-fluorophenyl)methyl]-9-methoxy-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione?
7-bromo-2-[(4-fluorophenyl)methyl]-9-methoxy-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione has a molecular weight of 381.20 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-[(4-fluorophenyl)methyl]-9-methoxy-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione is sourced from PubChem (CID 143248052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).