3-(4-methoxyphenyl)-5,7-dimethylpyridazino[4,5-b]indol-4-one

C19H17N3O2 — CID 4903253

IUPAC3-(4-methoxyphenyl)-5,7-dimethylpyridazino[4,5-b]indol-4-one
SMILESCOc1ccc(-n2ncc3c4ccc(C)cc4n(C)c3c2=O)cc1
InChIInChI=1S/C19H17N3O2/c1-12-4-9-15-16-11-20-22(13-5-7-14(24-3)8-6-13)19(23)18(16)21(2)17(15)10-12/h4-11H,1-3H3
InChIKeyNKPHHJPMFHZQBN-UHFFFAOYSA-N
MW319.36 g/mol
LogP3.19
Rot. Bonds2

About 3-(4-methoxyphenyl)-5,7-dimethylpyridazino[4,5-b]indol-4-one

3-(4-methoxyphenyl)-5,7-dimethylpyridazino[4,5-b]indol-4-one (PubChem CID 4903253) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-5,7-dimethylpyridazino[4,5-b]indol-4-one.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-5,7-dimethylpyridazino[4,5-b]indol-4-one
PubChem CID4903253
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC Name3-(4-methoxyphenyl)-5,7-dimethylpyridazino[4,5-b]indol-4-one
SMILESCOc1ccc(-n2ncc3c4ccc(C)cc4n(C)c3c2=O)cc1
InChIInChI=1S/C19H17N3O2/c1-12-4-9-15-16-11-20-22(13-5-7-14(24-3)8-6-13)19(23)18(16)21(2)17(15)10-12/h4-11H,1-3H3
InChIKeyNKPHHJPMFHZQBN-UHFFFAOYSA-N
XLogP3.19
TPSA49.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-ethyl-8-methoxy-3-(4-methoxyphenyl)pyridazino[4,5-b]indol-4-one
CID 4911333
5-chloro-4-(4-methoxyphenoxy)-2-(4-methylphenyl)pyridazin-3-one
CID 1479652
9-(4-methoxyphenyl)-2,7-dimethylcarbazole
CID 129212267
7-hydroxy-3-[(4-methoxyphenyl)methyl]-5-methylpyridazino[4,5-b]indol-4-one
CID 162683757
4-(4-methoxyphenyl)-1,7-dimethylquinazolin-2-one
CID 163851359
3-(4-methoxyphenyl)-5,7-dimethyl-6H-pyrrolo[3,4-d]pyridazin-4-one
CID 172852843
8-methoxy-2-(4-methoxyphenyl)-6-methylphthalazin-1-one
CID 159088215
7-chloro-5-hydroxy-3-(4-methoxyphenyl)pyridazino[4,5-b]quinoline-4,10-dione
CID 67695030
7-chloro-5-methyl-3-pyridin-3-ylpyridazino[4,5-b]indol-4-one
CID 141070390
5,7-dimethyl-3H-pyridazino[4,5-b]indol-4-one
CID 162683751
5-chloro-4-(4-methoxyphenoxy)-2-(4-methoxyphenyl)pyridazin-3-one
CID 50904469
5-(4-methoxyphenyl)-6-(4-methylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 2275304

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-5,7-dimethylpyridazino[4,5-b]indol-4-one?
The IUPAC name of 3-(4-methoxyphenyl)-5,7-dimethylpyridazino[4,5-b]indol-4-one (CID 4903253) is 3-(4-methoxyphenyl)-5,7-dimethylpyridazino[4,5-b]indol-4-one.
What is the SMILES notation for 3-(4-methoxyphenyl)-5,7-dimethylpyridazino[4,5-b]indol-4-one?
The canonical SMILES for 3-(4-methoxyphenyl)-5,7-dimethylpyridazino[4,5-b]indol-4-one is COc1ccc(-n2ncc3c4ccc(C)cc4n(C)c3c2=O)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-5,7-dimethylpyridazino[4,5-b]indol-4-one?
The InChIKey is NKPHHJPMFHZQBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2/c1-12-4-9-15-16-11-20-22(13-5-7-14(24-3)8-6-13)19(23)18(16)21(2)17(15)10-12/h4-11H,1-3H3.
What are the key properties of 3-(4-methoxyphenyl)-5,7-dimethylpyridazino[4,5-b]indol-4-one?
3-(4-methoxyphenyl)-5,7-dimethylpyridazino[4,5-b]indol-4-one has a molecular weight of 319.36 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-5,7-dimethylpyridazino[4,5-b]indol-4-one is sourced from PubChem (CID 4903253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).