6-methyl-2-[2-[4-(2-methylquinolin-4-yl)piperazin-1-yl]ethyl]pyridazin-3-one

C21H25N5O — CID 126913796

IUPAC6-methyl-2-[2-[4-(2-methylquinolin-4-yl)piperazin-1-yl]ethyl]pyridazin-3-one
SMILESCc1cc(N2CCN(CCn3nc(C)ccc3=O)CC2)c2ccccc2n1
InChIInChI=1S/C21H25N5O/c1-16-7-8-21(27)26(23-16)14-11-24-9-12-25(13-10-24)20-15-17(2)22-19-6-4-3-5-18(19)20/h3-8,15H,9-14H2,1-2H3
InChIKeyUMSDBILAPUNNRW-UHFFFAOYSA-N
MW363.47 g/mol
LogP2.23
Rot. Bonds4

About 6-methyl-2-[2-[4-(2-methylquinolin-4-yl)piperazin-1-yl]ethyl]pyridazin-3-one

6-methyl-2-[2-[4-(2-methylquinolin-4-yl)piperazin-1-yl]ethyl]pyridazin-3-one (PubChem CID 126913796) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is 6-methyl-2-[2-[4-(2-methylquinolin-4-yl)piperazin-1-yl]ethyl]pyridazin-3-one.

Molecular Properties

Compound Name6-methyl-2-[2-[4-(2-methylquinolin-4-yl)piperazin-1-yl]ethyl]pyridazin-3-one
PubChem CID126913796
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC Name6-methyl-2-[2-[4-(2-methylquinolin-4-yl)piperazin-1-yl]ethyl]pyridazin-3-one
SMILESCc1cc(N2CCN(CCn3nc(C)ccc3=O)CC2)c2ccccc2n1
InChIInChI=1S/C21H25N5O/c1-16-7-8-21(27)26(23-16)14-11-24-9-12-25(13-10-24)20-15-17(2)22-19-6-4-3-5-18(19)20/h3-8,15H,9-14H2,1-2H3
InChIKeyUMSDBILAPUNNRW-UHFFFAOYSA-N
XLogP2.23
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[2-[4-(2-methylquinolin-4-yl)piperazin-1-yl]ethyl]pyridazin-3-one?
The IUPAC name of 6-methyl-2-[2-[4-(2-methylquinolin-4-yl)piperazin-1-yl]ethyl]pyridazin-3-one (CID 126913796) is 6-methyl-2-[2-[4-(2-methylquinolin-4-yl)piperazin-1-yl]ethyl]pyridazin-3-one.
What is the SMILES notation for 6-methyl-2-[2-[4-(2-methylquinolin-4-yl)piperazin-1-yl]ethyl]pyridazin-3-one?
The canonical SMILES for 6-methyl-2-[2-[4-(2-methylquinolin-4-yl)piperazin-1-yl]ethyl]pyridazin-3-one is Cc1cc(N2CCN(CCn3nc(C)ccc3=O)CC2)c2ccccc2n1.
What is the InChIKey of 6-methyl-2-[2-[4-(2-methylquinolin-4-yl)piperazin-1-yl]ethyl]pyridazin-3-one?
The InChIKey is UMSDBILAPUNNRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c1-16-7-8-21(27)26(23-16)14-11-24-9-12-25(13-10-24)20-15-17(2)22-19-6-4-3-5-18(19)20/h3-8,15H,9-14H2,1-2H3.
What are the key properties of 6-methyl-2-[2-[4-(2-methylquinolin-4-yl)piperazin-1-yl]ethyl]pyridazin-3-one?
6-methyl-2-[2-[4-(2-methylquinolin-4-yl)piperazin-1-yl]ethyl]pyridazin-3-one has a molecular weight of 363.47 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[2-[4-(2-methylquinolin-4-yl)piperazin-1-yl]ethyl]pyridazin-3-one is sourced from PubChem (CID 126913796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).