4-(4-methoxyphenyl)-1H-pyrido[2,3-b]pyrazine-2,3-dione

C14H11N3O3 — CID 20565458

IUPAC4-(4-methoxyphenyl)-1H-pyrido[2,3-b]pyrazine-2,3-dione
SMILESCOc1ccc(-n2c(=O)c(=O)[nH]c3cccnc32)cc1
InChIInChI=1S/C14H11N3O3/c1-20-10-6-4-9(5-7-10)17-12-11(3-2-8-15-12)16-13(18)14(17)19/h2-8H,1H3,(H,16,18)
InChIKeySFDKDTDVKUVVAP-UHFFFAOYSA-N
MW269.26 g/mol
LogP1.08
Rot. Bonds2

About 4-(4-methoxyphenyl)-1H-pyrido[2,3-b]pyrazine-2,3-dione

4-(4-methoxyphenyl)-1H-pyrido[2,3-b]pyrazine-2,3-dione (PubChem CID 20565458) has the molecular formula C14H11N3O3 and a molecular weight of 269.26 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-1H-pyrido[2,3-b]pyrazine-2,3-dione.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-1H-pyrido[2,3-b]pyrazine-2,3-dione
PubChem CID20565458
Molecular FormulaC14H11N3O3
Molecular Weight269.26 g/mol
Exact Mass269.08
IUPAC Name4-(4-methoxyphenyl)-1H-pyrido[2,3-b]pyrazine-2,3-dione
SMILESCOc1ccc(-n2c(=O)c(=O)[nH]c3cccnc32)cc1
InChIInChI=1S/C14H11N3O3/c1-20-10-6-4-9(5-7-10)17-12-11(3-2-8-15-12)16-13(18)14(17)19/h2-8H,1H3,(H,16,18)
InChIKeySFDKDTDVKUVVAP-UHFFFAOYSA-N
XLogP1.08
TPSA76.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-1H-pyrido[2,3-b]pyrazine-2,3-dione?
The IUPAC name of 4-(4-methoxyphenyl)-1H-pyrido[2,3-b]pyrazine-2,3-dione (CID 20565458) is 4-(4-methoxyphenyl)-1H-pyrido[2,3-b]pyrazine-2,3-dione.
What is the SMILES notation for 4-(4-methoxyphenyl)-1H-pyrido[2,3-b]pyrazine-2,3-dione?
The canonical SMILES for 4-(4-methoxyphenyl)-1H-pyrido[2,3-b]pyrazine-2,3-dione is COc1ccc(-n2c(=O)c(=O)[nH]c3cccnc32)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-1H-pyrido[2,3-b]pyrazine-2,3-dione?
The InChIKey is SFDKDTDVKUVVAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O3/c1-20-10-6-4-9(5-7-10)17-12-11(3-2-8-15-12)16-13(18)14(17)19/h2-8H,1H3,(H,16,18).
What are the key properties of 4-(4-methoxyphenyl)-1H-pyrido[2,3-b]pyrazine-2,3-dione?
4-(4-methoxyphenyl)-1H-pyrido[2,3-b]pyrazine-2,3-dione has a molecular weight of 269.26 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-1H-pyrido[2,3-b]pyrazine-2,3-dione is sourced from PubChem (CID 20565458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).