7-(4-pyridin-4-ylquinolin-6-yl)-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione

C21H13N5O2 — CID 59860032

IUPAC7-(4-pyridin-4-ylquinolin-6-yl)-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione
SMILESO=c1[nH]c2cc(-c3ccc4nccc(-c5ccncc5)c4c3)cnc2[nH]c1=O
InChIInChI=1S/C21H13N5O2/c27-20-21(28)26-19-18(25-20)10-14(11-24-19)13-1-2-17-16(9-13)15(5-8-23-17)12-3-6-22-7-4-12/h1-11H,(H,25,27)(H,24,26,28)
InChIKeySEVSIRDDERUCCY-UHFFFAOYSA-N
MW367.37 g/mol
LogP2.89
Rot. Bonds2

About 7-(4-pyridin-4-ylquinolin-6-yl)-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione

7-(4-pyridin-4-ylquinolin-6-yl)-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione (PubChem CID 59860032) has the molecular formula C21H13N5O2 and a molecular weight of 367.37 g/mol. Its IUPAC name is 7-(4-pyridin-4-ylquinolin-6-yl)-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione.

Molecular Properties

Compound Name7-(4-pyridin-4-ylquinolin-6-yl)-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione
PubChem CID59860032
Molecular FormulaC21H13N5O2
Molecular Weight367.37 g/mol
Exact Mass367.11
IUPAC Name7-(4-pyridin-4-ylquinolin-6-yl)-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione
SMILESO=c1[nH]c2cc(-c3ccc4nccc(-c5ccncc5)c4c3)cnc2[nH]c1=O
InChIInChI=1S/C21H13N5O2/c27-20-21(28)26-19-18(25-20)10-14(11-24-19)13-1-2-17-16(9-13)15(5-8-23-17)12-3-6-22-7-4-12/h1-11H,(H,25,27)(H,24,26,28)
InChIKeySEVSIRDDERUCCY-UHFFFAOYSA-N
XLogP2.89
TPSA104.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.37
LogP ≤ 52.89
H-Bond Donors ≤ 52
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 7-(4-pyridin-4-ylquinolin-6-yl)-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione?
The IUPAC name of 7-(4-pyridin-4-ylquinolin-6-yl)-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione (CID 59860032) is 7-(4-pyridin-4-ylquinolin-6-yl)-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione.
What is the SMILES notation for 7-(4-pyridin-4-ylquinolin-6-yl)-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione?
The canonical SMILES for 7-(4-pyridin-4-ylquinolin-6-yl)-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione is O=c1[nH]c2cc(-c3ccc4nccc(-c5ccncc5)c4c3)cnc2[nH]c1=O.
What is the InChIKey of 7-(4-pyridin-4-ylquinolin-6-yl)-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione?
The InChIKey is SEVSIRDDERUCCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13N5O2/c27-20-21(28)26-19-18(25-20)10-14(11-24-19)13-1-2-17-16(9-13)15(5-8-23-17)12-3-6-22-7-4-12/h1-11H,(H,25,27)(H,24,26,28).
What are the key properties of 7-(4-pyridin-4-ylquinolin-6-yl)-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione?
7-(4-pyridin-4-ylquinolin-6-yl)-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione has a molecular weight of 367.37 g/mol, XLogP of 2.89, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-pyridin-4-ylquinolin-6-yl)-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione is sourced from PubChem (CID 59860032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).