5-hydroxy-2-(3-methylphenyl)-6-[4-(3-methylquinoxalin-2-yl)piperazine-1-carbonyl]pyridazin-3-one

C25H24N6O3 — CID 108809260

IUPAC5-hydroxy-2-(3-methylphenyl)-6-[4-(3-methylquinoxalin-2-yl)piperazine-1-carbonyl]pyridazin-3-one
SMILESCc1cccc(-n2nc(C(=O)N3CCN(c4nc5ccccc5nc4C)CC3)c(O)cc2=O)c1
InChIInChI=1S/C25H24N6O3/c1-16-6-5-7-18(14-16)31-22(33)15-21(32)23(28-31)25(34)30-12-10-29(11-13-30)24-17(2)26-19-8-3-4-9-20(19)27-24/h3-9,14-15,32H,10-13H2,1-2H3
InChIKeyGEPHAWDXLFAJQZ-UHFFFAOYSA-N
MW456.51 g/mol
LogP2.46
Rot. Bonds3

About 5-hydroxy-2-(3-methylphenyl)-6-[4-(3-methylquinoxalin-2-yl)piperazine-1-carbonyl]pyridazin-3-one

5-hydroxy-2-(3-methylphenyl)-6-[4-(3-methylquinoxalin-2-yl)piperazine-1-carbonyl]pyridazin-3-one (PubChem CID 108809260) has the molecular formula C25H24N6O3 and a molecular weight of 456.51 g/mol. Its IUPAC name is 5-hydroxy-2-(3-methylphenyl)-6-[4-(3-methylquinoxalin-2-yl)piperazine-1-carbonyl]pyridazin-3-one.

Molecular Properties

Compound Name5-hydroxy-2-(3-methylphenyl)-6-[4-(3-methylquinoxalin-2-yl)piperazine-1-carbonyl]pyridazin-3-one
PubChem CID108809260
Molecular FormulaC25H24N6O3
Molecular Weight456.51 g/mol
Exact Mass456.19
IUPAC Name5-hydroxy-2-(3-methylphenyl)-6-[4-(3-methylquinoxalin-2-yl)piperazine-1-carbonyl]pyridazin-3-one
SMILESCc1cccc(-n2nc(C(=O)N3CCN(c4nc5ccccc5nc4C)CC3)c(O)cc2=O)c1
InChIInChI=1S/C25H24N6O3/c1-16-6-5-7-18(14-16)31-22(33)15-21(32)23(28-31)25(34)30-12-10-29(11-13-30)24-17(2)26-19-8-3-4-9-20(19)27-24/h3-9,14-15,32H,10-13H2,1-2H3
InChIKeyGEPHAWDXLFAJQZ-UHFFFAOYSA-N
XLogP2.46
TPSA104.45 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.51
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-hydroxy-2-(3-methylphenyl)-6-[4-(3-methylquinoxalin-2-yl)piperazine-1-carbonyl]pyridazin-3-one with MolForge

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Related Compounds

6-[4-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)piperazine-1-carbonyl]-5-hydroxy-2-(3-methylphenyl)pyridazin-3-one
CID 108809205
6-methyl-3-[4-(3-methylphenyl)piperazine-1-carbonyl]-1-phenylpyridazin-4-one
CID 27049012
(3-chlorophenyl)-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]methanone
CID 30510743
[4-(3-methylphenyl)piperazin-1-yl]-(5-methyl-2-phenyltriazol-4-yl)methanone
CID 27049072
methyl 3-[4-(3-methylquinoxalin-2-yl)piperazine-1-carbonyl]benzoate
CID 108741319
methyl 4-(3-methylquinoxalin-2-yl)piperazine-1-carboxylate
CID 108741258
N,N-diethyl-4-(3-methylquinoxalin-2-yl)piperazine-1-carboxamide
CID 108741263
[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 108741320
[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 46093497
6-[4-(3-methylbenzoyl)piperazin-1-yl]-2-phenylpyridazin-3-one
CID 53081831
2-(3-chlorophenyl)-1-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]ethanone
CID 133324787
4-hydroxy-1-(3-methylphenyl)-6-oxo-N-(2-propan-2-ylphenyl)pyridazine-3-carboxamide
CID 108784965

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-(3-methylphenyl)-6-[4-(3-methylquinoxalin-2-yl)piperazine-1-carbonyl]pyridazin-3-one?
The IUPAC name of 5-hydroxy-2-(3-methylphenyl)-6-[4-(3-methylquinoxalin-2-yl)piperazine-1-carbonyl]pyridazin-3-one (CID 108809260) is 5-hydroxy-2-(3-methylphenyl)-6-[4-(3-methylquinoxalin-2-yl)piperazine-1-carbonyl]pyridazin-3-one.
What is the SMILES notation for 5-hydroxy-2-(3-methylphenyl)-6-[4-(3-methylquinoxalin-2-yl)piperazine-1-carbonyl]pyridazin-3-one?
The canonical SMILES for 5-hydroxy-2-(3-methylphenyl)-6-[4-(3-methylquinoxalin-2-yl)piperazine-1-carbonyl]pyridazin-3-one is Cc1cccc(-n2nc(C(=O)N3CCN(c4nc5ccccc5nc4C)CC3)c(O)cc2=O)c1.
What is the InChIKey of 5-hydroxy-2-(3-methylphenyl)-6-[4-(3-methylquinoxalin-2-yl)piperazine-1-carbonyl]pyridazin-3-one?
The InChIKey is GEPHAWDXLFAJQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O3/c1-16-6-5-7-18(14-16)31-22(33)15-21(32)23(28-31)25(34)30-12-10-29(11-13-30)24-17(2)26-19-8-3-4-9-20(19)27-24/h3-9,14-15,32H,10-13H2,1-2H3.
What are the key properties of 5-hydroxy-2-(3-methylphenyl)-6-[4-(3-methylquinoxalin-2-yl)piperazine-1-carbonyl]pyridazin-3-one?
5-hydroxy-2-(3-methylphenyl)-6-[4-(3-methylquinoxalin-2-yl)piperazine-1-carbonyl]pyridazin-3-one has a molecular weight of 456.51 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-(3-methylphenyl)-6-[4-(3-methylquinoxalin-2-yl)piperazine-1-carbonyl]pyridazin-3-one is sourced from PubChem (CID 108809260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).