1-methyl-4-[(5-methylpyrazin-2-yl)methylamino]quinolin-2-one

C16H16N4O — CID 81244466

IUPAC1-methyl-4-[(5-methylpyrazin-2-yl)methylamino]quinolin-2-one
SMILESCc1cnc(CNc2cc(=O)n(C)c3ccccc23)cn1
InChIInChI=1S/C16H16N4O/c1-11-8-18-12(9-17-11)10-19-14-7-16(21)20(2)15-6-4-3-5-13(14)15/h3-9,19H,10H2,1-2H3
InChIKeyDARULIABJVXOTA-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.25
Rot. Bonds3

About 1-methyl-4-[(5-methylpyrazin-2-yl)methylamino]quinolin-2-one

1-methyl-4-[(5-methylpyrazin-2-yl)methylamino]quinolin-2-one (PubChem CID 81244466) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 1-methyl-4-[(5-methylpyrazin-2-yl)methylamino]quinolin-2-one.

Molecular Properties

Compound Name1-methyl-4-[(5-methylpyrazin-2-yl)methylamino]quinolin-2-one
PubChem CID81244466
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name1-methyl-4-[(5-methylpyrazin-2-yl)methylamino]quinolin-2-one
SMILESCc1cnc(CNc2cc(=O)n(C)c3ccccc23)cn1
InChIInChI=1S/C16H16N4O/c1-11-8-18-12(9-17-11)10-19-14-7-16(21)20(2)15-6-4-3-5-13(14)15/h3-9,19H,10H2,1-2H3
InChIKeyDARULIABJVXOTA-UHFFFAOYSA-N
XLogP2.25
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(5-methylpyrazin-2-yl)methylamino]quinolin-2-one?
The IUPAC name of 1-methyl-4-[(5-methylpyrazin-2-yl)methylamino]quinolin-2-one (CID 81244466) is 1-methyl-4-[(5-methylpyrazin-2-yl)methylamino]quinolin-2-one.
What is the SMILES notation for 1-methyl-4-[(5-methylpyrazin-2-yl)methylamino]quinolin-2-one?
The canonical SMILES for 1-methyl-4-[(5-methylpyrazin-2-yl)methylamino]quinolin-2-one is Cc1cnc(CNc2cc(=O)n(C)c3ccccc23)cn1.
What is the InChIKey of 1-methyl-4-[(5-methylpyrazin-2-yl)methylamino]quinolin-2-one?
The InChIKey is DARULIABJVXOTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-11-8-18-12(9-17-11)10-19-14-7-16(21)20(2)15-6-4-3-5-13(14)15/h3-9,19H,10H2,1-2H3.
What are the key properties of 1-methyl-4-[(5-methylpyrazin-2-yl)methylamino]quinolin-2-one?
1-methyl-4-[(5-methylpyrazin-2-yl)methylamino]quinolin-2-one has a molecular weight of 280.33 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(5-methylpyrazin-2-yl)methylamino]quinolin-2-one is sourced from PubChem (CID 81244466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).