3-[2-(dimethylamino)ethyl]-7,8-dimethoxy-5H-pyridazino[4,5-b]indol-4-one

C16H20N4O3 — CID 135472238

IUPAC3-[2-(dimethylamino)ethyl]-7,8-dimethoxy-5H-pyridazino[4,5-b]indol-4-one
SMILESCOc1cc2[nH]c3c(=O)n(CCN(C)C)ncc3c2cc1OC
InChIInChI=1S/C16H20N4O3/c1-19(2)5-6-20-16(21)15-11(9-17-20)10-7-13(22-3)14(23-4)8-12(10)18-15/h7-9,18H,5-6H2,1-4H3
InChIKeyZXVBDBQCJLUEQJ-UHFFFAOYSA-N
MW316.36 g/mol
LogP1.46
Rot. Bonds5

About 3-[2-(dimethylamino)ethyl]-7,8-dimethoxy-5H-pyridazino[4,5-b]indol-4-one

3-[2-(dimethylamino)ethyl]-7,8-dimethoxy-5H-pyridazino[4,5-b]indol-4-one (PubChem CID 135472238) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethyl]-7,8-dimethoxy-5H-pyridazino[4,5-b]indol-4-one.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethyl]-7,8-dimethoxy-5H-pyridazino[4,5-b]indol-4-one
PubChem CID135472238
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Name3-[2-(dimethylamino)ethyl]-7,8-dimethoxy-5H-pyridazino[4,5-b]indol-4-one
SMILESCOc1cc2[nH]c3c(=O)n(CCN(C)C)ncc3c2cc1OC
InChIInChI=1S/C16H20N4O3/c1-19(2)5-6-20-16(21)15-11(9-17-20)10-7-13(22-3)14(23-4)8-12(10)18-15/h7-9,18H,5-6H2,1-4H3
InChIKeyZXVBDBQCJLUEQJ-UHFFFAOYSA-N
XLogP1.46
TPSA72.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-fluorophenyl)-7,8-dimethoxy-5H-pyridazino[4,5-b]indol-4-one
CID 135472162
N-(3,4-dimethoxyphenyl)-2-(8-methyl-4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide
CID 135550944
N-(3,4-dimethoxyphenyl)-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide
CID 135833508
1-[2-(dimethylamino)ethyl]-4-methoxypyrazole-5-carbaldehyde
CID 114640202
N-(2,4-dimethoxyphenyl)-2-(8-methyl-4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide
CID 135550942
N-(2,5-dimethoxyphenyl)-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide
CID 135833532
[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-(4-fluorophenyl)methanone
CID 114638833
2-[5-(3-chloro-2-methylpropyl)-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine
CID 114665514
7-bicyclo[4.1.0]heptanyl-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]methanone
CID 115803154
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-methoxyethanone
CID 114639516
6,7-dimethoxy-3-propyl-1H-quinazoline-2,4-dione
CID 94075074
2-[2-(dimethylamino)ethyl]phthalazin-1-one;hydrochloride
CID 3057187

Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)ethyl]-7,8-dimethoxy-5H-pyridazino[4,5-b]indol-4-one?
The IUPAC name of 3-[2-(dimethylamino)ethyl]-7,8-dimethoxy-5H-pyridazino[4,5-b]indol-4-one (CID 135472238) is 3-[2-(dimethylamino)ethyl]-7,8-dimethoxy-5H-pyridazino[4,5-b]indol-4-one.
What is the SMILES notation for 3-[2-(dimethylamino)ethyl]-7,8-dimethoxy-5H-pyridazino[4,5-b]indol-4-one?
The canonical SMILES for 3-[2-(dimethylamino)ethyl]-7,8-dimethoxy-5H-pyridazino[4,5-b]indol-4-one is COc1cc2[nH]c3c(=O)n(CCN(C)C)ncc3c2cc1OC.
What is the InChIKey of 3-[2-(dimethylamino)ethyl]-7,8-dimethoxy-5H-pyridazino[4,5-b]indol-4-one?
The InChIKey is ZXVBDBQCJLUEQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-19(2)5-6-20-16(21)15-11(9-17-20)10-7-13(22-3)14(23-4)8-12(10)18-15/h7-9,18H,5-6H2,1-4H3.
What are the key properties of 3-[2-(dimethylamino)ethyl]-7,8-dimethoxy-5H-pyridazino[4,5-b]indol-4-one?
3-[2-(dimethylamino)ethyl]-7,8-dimethoxy-5H-pyridazino[4,5-b]indol-4-one has a molecular weight of 316.36 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)ethyl]-7,8-dimethoxy-5H-pyridazino[4,5-b]indol-4-one is sourced from PubChem (CID 135472238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).