3,5-diethyl-7,9-dimethoxypyridazino[4,5-b]indol-4-one

C16H19N3O3 — CID 4912346

IUPAC3,5-diethyl-7,9-dimethoxypyridazino[4,5-b]indol-4-one
SMILESCCn1ncc2c3c(OC)cc(OC)cc3n(CC)c2c1=O
InChIInChI=1S/C16H19N3O3/c1-5-18-12-7-10(21-3)8-13(22-4)14(12)11-9-17-19(6-2)16(20)15(11)18/h7-9H,5-6H2,1-4H3
InChIKeyQNMKSSSLTSISQL-UHFFFAOYSA-N
MW301.35 g/mol
LogP2.41
Rot. Bonds4

About 3,5-diethyl-7,9-dimethoxypyridazino[4,5-b]indol-4-one

3,5-diethyl-7,9-dimethoxypyridazino[4,5-b]indol-4-one (PubChem CID 4912346) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 3,5-diethyl-7,9-dimethoxypyridazino[4,5-b]indol-4-one.

Molecular Properties

Compound Name3,5-diethyl-7,9-dimethoxypyridazino[4,5-b]indol-4-one
PubChem CID4912346
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name3,5-diethyl-7,9-dimethoxypyridazino[4,5-b]indol-4-one
SMILESCCn1ncc2c3c(OC)cc(OC)cc3n(CC)c2c1=O
InChIInChI=1S/C16H19N3O3/c1-5-18-12-7-10(21-3)8-13(22-4)14(12)11-9-17-19(6-2)16(20)15(11)18/h7-9H,5-6H2,1-4H3
InChIKeyQNMKSSSLTSISQL-UHFFFAOYSA-N
XLogP2.41
TPSA58.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5,12-diethyl-1,3,8,10-tetramethoxyquinolino[2,3-b]acridine-7,14-dione
CID 141053736
5-ethyl-7,9-dimethoxy-1-methyl-3-propan-2-ylpyridazino[4,5-b]indol-4-one
CID 4912354
2-ethyl-6,7-dimethoxyphthalazin-1-one
CID 125457648
5-ethyl-8-methoxy-3-(4-methoxyphenyl)pyridazino[4,5-b]indol-4-one
CID 4911333
5-ethyl-2,3,8,9-tetramethoxyphenanthridin-6-one
CID 10405159
3-[(3-methoxyphenyl)methyl]-5,9-dimethylpyridazino[4,5-b]indol-4-one
CID 154681916
2-(5-benzyl-4-oxopyridazino[4,5-b]indol-3-yl)-N-(2,4-dimethoxyphenyl)acetamide
CID 20891948
7-ethyl-10-[(4-fluorophenyl)methyl]-4-methyl-3-oxa-7,10,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one
CID 16671056
(2,4-dimethoxyphenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol
CID 114634383
10-ethyl-1,3-dimethoxy-6-(4-methylpiperazin-1-yl)-7-nitroacridin-9-one
CID 10526453
4-chloro-5,7-dimethoxy-1-[(4-methoxyphenyl)methyl]-2-oxoquinoline-3-carbonitrile
CID 23153965
3-(aminomethyl)-5,7-dimethoxy-1,4-dimethylquinolin-2-one
CID 84638829

Frequently Asked Questions

What is the IUPAC name of 3,5-diethyl-7,9-dimethoxypyridazino[4,5-b]indol-4-one?
The IUPAC name of 3,5-diethyl-7,9-dimethoxypyridazino[4,5-b]indol-4-one (CID 4912346) is 3,5-diethyl-7,9-dimethoxypyridazino[4,5-b]indol-4-one.
What is the SMILES notation for 3,5-diethyl-7,9-dimethoxypyridazino[4,5-b]indol-4-one?
The canonical SMILES for 3,5-diethyl-7,9-dimethoxypyridazino[4,5-b]indol-4-one is CCn1ncc2c3c(OC)cc(OC)cc3n(CC)c2c1=O.
What is the InChIKey of 3,5-diethyl-7,9-dimethoxypyridazino[4,5-b]indol-4-one?
The InChIKey is QNMKSSSLTSISQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-5-18-12-7-10(21-3)8-13(22-4)14(12)11-9-17-19(6-2)16(20)15(11)18/h7-9H,5-6H2,1-4H3.
What are the key properties of 3,5-diethyl-7,9-dimethoxypyridazino[4,5-b]indol-4-one?
3,5-diethyl-7,9-dimethoxypyridazino[4,5-b]indol-4-one has a molecular weight of 301.35 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diethyl-7,9-dimethoxypyridazino[4,5-b]indol-4-one is sourced from PubChem (CID 4912346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).