6-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1-(2,4-dimethylphenyl)-4-methylpyrazolo[4,5-d]pyridazin-7-one

C25H25N5O2 — CID 16846658

IUPAC6-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1-(2,4-dimethylphenyl)-4-methylpyrazolo[4,5-d]pyridazin-7-one
SMILESCc1ccc(-n2ncc3c(C)nn(CC(=O)N4CCCc5ccccc54)c(=O)c32)c(C)c1
InChIInChI=1S/C25H25N5O2/c1-16-10-11-21(17(2)13-16)30-24-20(14-26-30)18(3)27-29(25(24)32)15-23(31)28-12-6-8-19-7-4-5-9-22(19)28/h4-5,7,9-11,13-14H,6,8,12,15H2,1-3H3
InChIKeyVTFYHVSBHZXKIE-UHFFFAOYSA-N
MW427.51 g/mol
LogP3.49
Rot. Bonds3

About 6-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1-(2,4-dimethylphenyl)-4-methylpyrazolo[4,5-d]pyridazin-7-one

6-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1-(2,4-dimethylphenyl)-4-methylpyrazolo[4,5-d]pyridazin-7-one (PubChem CID 16846658) has the molecular formula C25H25N5O2 and a molecular weight of 427.51 g/mol. Its IUPAC name is 6-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1-(2,4-dimethylphenyl)-4-methylpyrazolo[4,5-d]pyridazin-7-one.

Molecular Properties

Compound Name6-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1-(2,4-dimethylphenyl)-4-methylpyrazolo[4,5-d]pyridazin-7-one
PubChem CID16846658
Molecular FormulaC25H25N5O2
Molecular Weight427.51 g/mol
Exact Mass427.20
IUPAC Name6-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1-(2,4-dimethylphenyl)-4-methylpyrazolo[4,5-d]pyridazin-7-one
SMILESCc1ccc(-n2ncc3c(C)nn(CC(=O)N4CCCc5ccccc54)c(=O)c32)c(C)c1
InChIInChI=1S/C25H25N5O2/c1-16-10-11-21(17(2)13-16)30-24-20(14-26-30)18(3)27-29(25(24)32)15-23(31)28-12-6-8-19-7-4-5-9-22(19)28/h4-5,7,9-11,13-14H,6,8,12,15H2,1-3H3
InChIKeyVTFYHVSBHZXKIE-UHFFFAOYSA-N
XLogP3.49
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-(4-fluorophenyl)-4-methylpyrazolo[4,5-d]pyridazin-7-one
CID 16846385
2-[1-(2,4-dimethylphenyl)-4-methyl-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-(4-methylphenyl)acetamide
CID 16846665
6-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1-(4-fluorophenyl)-4-propan-2-ylpyrazolo[4,5-d]pyridazin-7-one
CID 16847048
6-benzyl-1-(2,4-dimethylphenyl)-4-methylpyrazolo[4,5-d]pyridazin-7-one
CID 16846719
4-cyclopropyl-6-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-phenylpyrazolo[4,5-d]pyridazin-7-one
CID 30607364
6-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3-(3,5-dimethylphenyl)triazolo[4,5-d]pyrimidin-7-one
CID 7200055
1-(4-chlorophenyl)-5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 16798461
5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 27559360
6-[2-(4-chlorophenyl)-2-oxoethyl]-4-methyl-1-(2-methylphenyl)pyrazolo[4,5-d]pyridazin-7-one
CID 16846636
5-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 16882195
1-(3-chlorophenyl)-5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 16799450
N-(2,4-difluorophenyl)-2-[4-methyl-1-(2-methylphenyl)-7-oxopyrazolo[4,5-d]pyridazin-6-yl]acetamide
CID 16846534

Frequently Asked Questions

What is the IUPAC name of 6-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1-(2,4-dimethylphenyl)-4-methylpyrazolo[4,5-d]pyridazin-7-one?
The IUPAC name of 6-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1-(2,4-dimethylphenyl)-4-methylpyrazolo[4,5-d]pyridazin-7-one (CID 16846658) is 6-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1-(2,4-dimethylphenyl)-4-methylpyrazolo[4,5-d]pyridazin-7-one.
What is the SMILES notation for 6-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1-(2,4-dimethylphenyl)-4-methylpyrazolo[4,5-d]pyridazin-7-one?
The canonical SMILES for 6-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1-(2,4-dimethylphenyl)-4-methylpyrazolo[4,5-d]pyridazin-7-one is Cc1ccc(-n2ncc3c(C)nn(CC(=O)N4CCCc5ccccc54)c(=O)c32)c(C)c1.
What is the InChIKey of 6-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1-(2,4-dimethylphenyl)-4-methylpyrazolo[4,5-d]pyridazin-7-one?
The InChIKey is VTFYHVSBHZXKIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O2/c1-16-10-11-21(17(2)13-16)30-24-20(14-26-30)18(3)27-29(25(24)32)15-23(31)28-12-6-8-19-7-4-5-9-22(19)28/h4-5,7,9-11,13-14H,6,8,12,15H2,1-3H3.
What are the key properties of 6-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1-(2,4-dimethylphenyl)-4-methylpyrazolo[4,5-d]pyridazin-7-one?
6-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1-(2,4-dimethylphenyl)-4-methylpyrazolo[4,5-d]pyridazin-7-one has a molecular weight of 427.51 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1-(2,4-dimethylphenyl)-4-methylpyrazolo[4,5-d]pyridazin-7-one is sourced from PubChem (CID 16846658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).