5-methyl-2-[[2-(methylamino)quinolin-3-yl]methyl]pyridazin-3-one

C16H16N4O — CID 106549050

IUPAC5-methyl-2-[[2-(methylamino)quinolin-3-yl]methyl]pyridazin-3-one
SMILESCNc1nc2ccccc2cc1Cn1ncc(C)cc1=O
InChIInChI=1S/C16H16N4O/c1-11-7-15(21)20(18-9-11)10-13-8-12-5-3-4-6-14(12)19-16(13)17-2/h3-9H,10H2,1-2H3,(H,17,19)
InChIKeyXVPCKROQHJRHNK-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.19
Rot. Bonds3

About 5-methyl-2-[[2-(methylamino)quinolin-3-yl]methyl]pyridazin-3-one

5-methyl-2-[[2-(methylamino)quinolin-3-yl]methyl]pyridazin-3-one (PubChem CID 106549050) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 5-methyl-2-[[2-(methylamino)quinolin-3-yl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name5-methyl-2-[[2-(methylamino)quinolin-3-yl]methyl]pyridazin-3-one
PubChem CID106549050
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name5-methyl-2-[[2-(methylamino)quinolin-3-yl]methyl]pyridazin-3-one
SMILESCNc1nc2ccccc2cc1Cn1ncc(C)cc1=O
InChIInChI=1S/C16H16N4O/c1-11-7-15(21)20(18-9-11)10-13-8-12-5-3-4-6-14(12)19-16(13)17-2/h3-9H,10H2,1-2H3,(H,17,19)
InChIKeyXVPCKROQHJRHNK-UHFFFAOYSA-N
XLogP2.19
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 ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4,5-dimethyl-3-[[2-(methylamino)quinolin-3-yl]methyl]-1,3-thiazol-2-one
CID 63310299
1-ethyl-3-[[2-(methylamino)quinolin-3-yl]methyl]imidazol-2-one
CID 80580287
2-[(4-methyl-6-oxopyridazin-1-yl)methyl]benzonitrile
CID 106548669
N-methyl-3-(piperidin-1-ylmethyl)quinolin-2-amine
CID 62182323
3-[[2-(methylamino)quinolin-3-yl]methyl]-1,3-oxazolidin-2-one
CID 55044537
5-(methylamino)-2-(quinolin-4-ylmethyl)pyridazin-3-one
CID 103218481
2-[[4-(methylamino)-6-oxopyridazin-1-yl]methyl]benzonitrile
CID 103218527
2-[(2-fluorophenyl)methyl]-5-(methylamino)pyridazin-3-one
CID 103218493
3-[(4-methoxypiperidin-1-yl)methyl]-N-methylquinolin-2-amine
CID 62182388
N-methyl-3-[(2-methylpiperidin-1-yl)methyl]quinolin-2-amine
CID 62178927
3-[methyl-[[2-(methylamino)quinolin-3-yl]methyl]amino]propanenitrile
CID 62177687
[3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]quinolin-2-yl]hydrazine
CID 62244092

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[[2-(methylamino)quinolin-3-yl]methyl]pyridazin-3-one?
The IUPAC name of 5-methyl-2-[[2-(methylamino)quinolin-3-yl]methyl]pyridazin-3-one (CID 106549050) is 5-methyl-2-[[2-(methylamino)quinolin-3-yl]methyl]pyridazin-3-one.
What is the SMILES notation for 5-methyl-2-[[2-(methylamino)quinolin-3-yl]methyl]pyridazin-3-one?
The canonical SMILES for 5-methyl-2-[[2-(methylamino)quinolin-3-yl]methyl]pyridazin-3-one is CNc1nc2ccccc2cc1Cn1ncc(C)cc1=O.
What is the InChIKey of 5-methyl-2-[[2-(methylamino)quinolin-3-yl]methyl]pyridazin-3-one?
The InChIKey is XVPCKROQHJRHNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-11-7-15(21)20(18-9-11)10-13-8-12-5-3-4-6-14(12)19-16(13)17-2/h3-9H,10H2,1-2H3,(H,17,19).
What are the key properties of 5-methyl-2-[[2-(methylamino)quinolin-3-yl]methyl]pyridazin-3-one?
5-methyl-2-[[2-(methylamino)quinolin-3-yl]methyl]pyridazin-3-one has a molecular weight of 280.33 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[[2-(methylamino)quinolin-3-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 106549050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).