5-[4-[(8-methoxyquinolin-2-yl)methyl]piperazin-1-yl]-2-methylpyridazin-3-one

C20H23N5O2 — CID 77096181

IUPAC5-[4-[(8-methoxyquinolin-2-yl)methyl]piperazin-1-yl]-2-methylpyridazin-3-one
SMILESCOc1cccc2ccc(CN3CCN(c4cnn(C)c(=O)c4)CC3)nc12
InChIInChI=1S/C20H23N5O2/c1-23-19(26)12-17(13-21-23)25-10-8-24(9-11-25)14-16-7-6-15-4-3-5-18(27-2)20(15)22-16/h3-7,12-13H,8-11,14H2,1-2H3
InChIKeyXPWALZRNIHNMPA-UHFFFAOYSA-N
MW365.44 g/mol
LogP1.66
Rot. Bonds4

About 5-[4-[(8-methoxyquinolin-2-yl)methyl]piperazin-1-yl]-2-methylpyridazin-3-one

5-[4-[(8-methoxyquinolin-2-yl)methyl]piperazin-1-yl]-2-methylpyridazin-3-one (PubChem CID 77096181) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 5-[4-[(8-methoxyquinolin-2-yl)methyl]piperazin-1-yl]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name5-[4-[(8-methoxyquinolin-2-yl)methyl]piperazin-1-yl]-2-methylpyridazin-3-one
PubChem CID77096181
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name5-[4-[(8-methoxyquinolin-2-yl)methyl]piperazin-1-yl]-2-methylpyridazin-3-one
SMILESCOc1cccc2ccc(CN3CCN(c4cnn(C)c(=O)c4)CC3)nc12
InChIInChI=1S/C20H23N5O2/c1-23-19(26)12-17(13-21-23)25-10-8-24(9-11-25)14-16-7-6-15-4-3-5-18(27-2)20(15)22-16/h3-7,12-13H,8-11,14H2,1-2H3
InChIKeyXPWALZRNIHNMPA-UHFFFAOYSA-N
XLogP1.66
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-2-methylpyridazin-3-one
CID 171994632
5-[4-[(1,5-dimethylpyrazol-3-yl)methyl]piperazin-1-yl]-2-methylpyridazin-3-one
CID 175648305
2-methyl-5-[4-[(3-nitrophenyl)methyl]piperazin-1-yl]pyridazin-3-one
CID 171998649
2-methyl-5-[4-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]pyridazin-3-one
CID 171995056
5-[4-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-methylpyridazin-3-one
CID 171997735
2-methyl-5-[4-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]piperazin-1-yl]pyridazin-3-one
CID 28685245
5-[4-(4-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-methylpyridazin-3-one
CID 171997624
(4-benzylpiperazin-1-yl)-[6-[(8-methoxyquinolin-2-yl)methyl]-6-azaspiro[2.5]octan-2-yl]methanone
CID 45165567
(2R,4S)-4-hydroxy-1-[(8-methoxyquinolin-2-yl)methyl]piperidine-2-carboxylic acid
CID 50964999
8-methoxy-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoline
CID 39756713
(2S)-1-[(8-methoxyquinolin-2-yl)methyl]pyrrolidine-2-carboxylic acid
CID 122563198
N-(4-methoxyphenyl)-2-[4-(1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]acetamide
CID 171998493

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(8-methoxyquinolin-2-yl)methyl]piperazin-1-yl]-2-methylpyridazin-3-one?
The IUPAC name of 5-[4-[(8-methoxyquinolin-2-yl)methyl]piperazin-1-yl]-2-methylpyridazin-3-one (CID 77096181) is 5-[4-[(8-methoxyquinolin-2-yl)methyl]piperazin-1-yl]-2-methylpyridazin-3-one.
What is the SMILES notation for 5-[4-[(8-methoxyquinolin-2-yl)methyl]piperazin-1-yl]-2-methylpyridazin-3-one?
The canonical SMILES for 5-[4-[(8-methoxyquinolin-2-yl)methyl]piperazin-1-yl]-2-methylpyridazin-3-one is COc1cccc2ccc(CN3CCN(c4cnn(C)c(=O)c4)CC3)nc12.
What is the InChIKey of 5-[4-[(8-methoxyquinolin-2-yl)methyl]piperazin-1-yl]-2-methylpyridazin-3-one?
The InChIKey is XPWALZRNIHNMPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-23-19(26)12-17(13-21-23)25-10-8-24(9-11-25)14-16-7-6-15-4-3-5-18(27-2)20(15)22-16/h3-7,12-13H,8-11,14H2,1-2H3.
What are the key properties of 5-[4-[(8-methoxyquinolin-2-yl)methyl]piperazin-1-yl]-2-methylpyridazin-3-one?
5-[4-[(8-methoxyquinolin-2-yl)methyl]piperazin-1-yl]-2-methylpyridazin-3-one has a molecular weight of 365.44 g/mol, XLogP of 1.66, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(8-methoxyquinolin-2-yl)methyl]piperazin-1-yl]-2-methylpyridazin-3-one is sourced from PubChem (CID 77096181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).