1-[(5-aminoquinolin-8-yl)methyl]-4-methylpyrazine-2,3-dione

C15H14N4O2 — CID 62929072

IUPAC1-[(5-aminoquinolin-8-yl)methyl]-4-methylpyrazine-2,3-dione
SMILESCn1ccn(Cc2ccc(N)c3cccnc23)c(=O)c1=O
InChIInChI=1S/C15H14N4O2/c1-18-7-8-19(15(21)14(18)20)9-10-4-5-12(16)11-3-2-6-17-13(10)11/h2-8H,9,16H2,1H3
InChIKeyRJPHXOOHASMXNK-UHFFFAOYSA-N
MW282.30 g/mol
LogP0.73
Rot. Bonds2

About 1-[(5-aminoquinolin-8-yl)methyl]-4-methylpyrazine-2,3-dione

1-[(5-aminoquinolin-8-yl)methyl]-4-methylpyrazine-2,3-dione (PubChem CID 62929072) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is 1-[(5-aminoquinolin-8-yl)methyl]-4-methylpyrazine-2,3-dione.

Molecular Properties

Compound Name1-[(5-aminoquinolin-8-yl)methyl]-4-methylpyrazine-2,3-dione
PubChem CID62929072
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC Name1-[(5-aminoquinolin-8-yl)methyl]-4-methylpyrazine-2,3-dione
SMILESCn1ccn(Cc2ccc(N)c3cccnc23)c(=O)c1=O
InChIInChI=1S/C15H14N4O2/c1-18-7-8-19(15(21)14(18)20)9-10-4-5-12(16)11-3-2-6-17-13(10)11/h2-8H,9,16H2,1H3
InChIKeyRJPHXOOHASMXNK-UHFFFAOYSA-N
XLogP0.73
TPSA82.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-aminoquinolin-8-yl)methyl]-4-methylpyrazine-2,3-dione?
The IUPAC name of 1-[(5-aminoquinolin-8-yl)methyl]-4-methylpyrazine-2,3-dione (CID 62929072) is 1-[(5-aminoquinolin-8-yl)methyl]-4-methylpyrazine-2,3-dione.
What is the SMILES notation for 1-[(5-aminoquinolin-8-yl)methyl]-4-methylpyrazine-2,3-dione?
The canonical SMILES for 1-[(5-aminoquinolin-8-yl)methyl]-4-methylpyrazine-2,3-dione is Cn1ccn(Cc2ccc(N)c3cccnc23)c(=O)c1=O.
What is the InChIKey of 1-[(5-aminoquinolin-8-yl)methyl]-4-methylpyrazine-2,3-dione?
The InChIKey is RJPHXOOHASMXNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2/c1-18-7-8-19(15(21)14(18)20)9-10-4-5-12(16)11-3-2-6-17-13(10)11/h2-8H,9,16H2,1H3.
What are the key properties of 1-[(5-aminoquinolin-8-yl)methyl]-4-methylpyrazine-2,3-dione?
1-[(5-aminoquinolin-8-yl)methyl]-4-methylpyrazine-2,3-dione has a molecular weight of 282.30 g/mol, XLogP of 0.73, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-aminoquinolin-8-yl)methyl]-4-methylpyrazine-2,3-dione is sourced from PubChem (CID 62929072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).