5-ethyl-8-methyl-3-phenylpyridazino[4,5-b]indol-4-one

C19H17N3O — CID 4902245

IUPAC5-ethyl-8-methyl-3-phenylpyridazino[4,5-b]indol-4-one
SMILESCCn1c2ccc(C)cc2c2cnn(-c3ccccc3)c(=O)c21
InChIInChI=1S/C19H17N3O/c1-3-21-17-10-9-13(2)11-15(17)16-12-20-22(19(23)18(16)21)14-7-5-4-6-8-14/h4-12H,3H2,1-2H3
InChIKeyKAPYDBVLXHTUKJ-UHFFFAOYSA-N
MW303.37 g/mol
LogP3.67
Rot. Bonds2

About 5-ethyl-8-methyl-3-phenylpyridazino[4,5-b]indol-4-one

5-ethyl-8-methyl-3-phenylpyridazino[4,5-b]indol-4-one (PubChem CID 4902245) has the molecular formula C19H17N3O and a molecular weight of 303.37 g/mol. Its IUPAC name is 5-ethyl-8-methyl-3-phenylpyridazino[4,5-b]indol-4-one.

Molecular Properties

Compound Name5-ethyl-8-methyl-3-phenylpyridazino[4,5-b]indol-4-one
PubChem CID4902245
Molecular FormulaC19H17N3O
Molecular Weight303.37 g/mol
Exact Mass303.14
IUPAC Name5-ethyl-8-methyl-3-phenylpyridazino[4,5-b]indol-4-one
SMILESCCn1c2ccc(C)cc2c2cnn(-c3ccccc3)c(=O)c21
InChIInChI=1S/C19H17N3O/c1-3-21-17-10-9-13(2)11-15(17)16-12-20-22(19(23)18(16)21)14-7-5-4-6-8-14/h4-12H,3H2,1-2H3
InChIKeyKAPYDBVLXHTUKJ-UHFFFAOYSA-N
XLogP3.67
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-8-methoxy-3-(4-methoxyphenyl)pyridazino[4,5-b]indol-4-one
CID 4911333
4-ethyl-1,7-dimethylpyrazolo[4,5-b]quinolin-9-one
CID 23442433
5-ethyl-1-phenyl-7H-pyrazolo[5,4-d]pyrimidine-4,6-dione
CID 135882048
6-ethyl-4-methyl-1-phenylpyrazolo[4,5-d]pyridazin-7-one
CID 16846087
5-[(2,4-dimethylphenyl)methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 2047328
5,7-dimethyl-6-pentyl-3-phenylpyrrolo[3,4-d]pyridazin-4-one
CID 118579926
5,9-dimethyl-3-phenylpyridazino[4,5-b]indol-4-one
CID 139892501
6-methyl-5-[(4-methylphenyl)methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 23905910
2-(5,7-dimethyl-4-oxo-3-phenylpyrrolo[3,4-d]pyridazin-6-yl)acetic acid
CID 20887936
3-(4-methoxyphenyl)-5,7-dimethylpyridazino[4,5-b]indol-4-one
CID 4903253
6-methyl-3-phenyl-1,2,3-benzotriazin-4-one
CID 132525992
5-benzyl-2,9-dimethylphenanthridin-6-one
CID 86257513

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-8-methyl-3-phenylpyridazino[4,5-b]indol-4-one?
The IUPAC name of 5-ethyl-8-methyl-3-phenylpyridazino[4,5-b]indol-4-one (CID 4902245) is 5-ethyl-8-methyl-3-phenylpyridazino[4,5-b]indol-4-one.
What is the SMILES notation for 5-ethyl-8-methyl-3-phenylpyridazino[4,5-b]indol-4-one?
The canonical SMILES for 5-ethyl-8-methyl-3-phenylpyridazino[4,5-b]indol-4-one is CCn1c2ccc(C)cc2c2cnn(-c3ccccc3)c(=O)c21.
What is the InChIKey of 5-ethyl-8-methyl-3-phenylpyridazino[4,5-b]indol-4-one?
The InChIKey is KAPYDBVLXHTUKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O/c1-3-21-17-10-9-13(2)11-15(17)16-12-20-22(19(23)18(16)21)14-7-5-4-6-8-14/h4-12H,3H2,1-2H3.
What are the key properties of 5-ethyl-8-methyl-3-phenylpyridazino[4,5-b]indol-4-one?
5-ethyl-8-methyl-3-phenylpyridazino[4,5-b]indol-4-one has a molecular weight of 303.37 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-8-methyl-3-phenylpyridazino[4,5-b]indol-4-one is sourced from PubChem (CID 4902245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).