5-ethyl-8-methoxy-3-(4-methoxyphenyl)pyridazino[4,5-b]indol-4-one

C20H19N3O3 — CID 4911333

IUPAC5-ethyl-8-methoxy-3-(4-methoxyphenyl)pyridazino[4,5-b]indol-4-one
SMILESCCn1c2ccc(OC)cc2c2cnn(-c3ccc(OC)cc3)c(=O)c21
InChIInChI=1S/C20H19N3O3/c1-4-22-18-10-9-15(26-3)11-16(18)17-12-21-23(20(24)19(17)22)13-5-7-14(25-2)8-6-13/h5-12H,4H2,1-3H3
InChIKeyKLRPINRNCOQQOI-UHFFFAOYSA-N
MW349.39 g/mol
LogP3.38
Rot. Bonds4

About 5-ethyl-8-methoxy-3-(4-methoxyphenyl)pyridazino[4,5-b]indol-4-one

5-ethyl-8-methoxy-3-(4-methoxyphenyl)pyridazino[4,5-b]indol-4-one (PubChem CID 4911333) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is 5-ethyl-8-methoxy-3-(4-methoxyphenyl)pyridazino[4,5-b]indol-4-one.

Molecular Properties

Compound Name5-ethyl-8-methoxy-3-(4-methoxyphenyl)pyridazino[4,5-b]indol-4-one
PubChem CID4911333
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name5-ethyl-8-methoxy-3-(4-methoxyphenyl)pyridazino[4,5-b]indol-4-one
SMILESCCn1c2ccc(OC)cc2c2cnn(-c3ccc(OC)cc3)c(=O)c21
InChIInChI=1S/C20H19N3O3/c1-4-22-18-10-9-15(26-3)11-16(18)17-12-21-23(20(24)19(17)22)13-5-7-14(25-2)8-6-13/h5-12H,4H2,1-3H3
InChIKeyKLRPINRNCOQQOI-UHFFFAOYSA-N
XLogP3.38
TPSA58.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-ethyl-8-methyl-3-phenylpyridazino[4,5-b]indol-4-one
CID 4902245
3-(4-methoxyphenyl)-5,7-dimethylpyridazino[4,5-b]indol-4-one
CID 4903253
5-chloro-4-(4-methoxyphenoxy)-2-(4-methoxyphenyl)pyridazin-3-one
CID 50904469
7-chloro-5-hydroxy-3-(4-methoxyphenyl)pyridazino[4,5-b]quinoline-4,10-dione
CID 67695030
3-(4-methoxyphenyl)-5,7-dimethyl-6H-pyrrolo[3,4-d]pyridazin-4-one
CID 172852843
5-chloro-2-(4-ethylphenyl)-4-(4-methoxyphenoxy)pyridazin-3-one
CID 46172935
3,5-diethyl-7,9-dimethoxypyridazino[4,5-b]indol-4-one
CID 4912346
1-ethyl-6-methoxy-3-methyl-4-oxoquinoline-2-carboxylic acid
CID 82246138
2-(1-ethyl-6-methoxy-2-methyl-4-oxoquinolin-3-yl)acetic acid
CID 82248163
6-ethyl-9-methoxyindolo[3,2-b]quinoxaline
CID 945804
8-methoxy-2-(4-methoxyphenyl)-6-methylphthalazin-1-one
CID 159088215
5-chloro-4-(4-methoxyphenoxy)-2-(4-methylphenyl)pyridazin-3-one
CID 1479652

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-8-methoxy-3-(4-methoxyphenyl)pyridazino[4,5-b]indol-4-one?
The IUPAC name of 5-ethyl-8-methoxy-3-(4-methoxyphenyl)pyridazino[4,5-b]indol-4-one (CID 4911333) is 5-ethyl-8-methoxy-3-(4-methoxyphenyl)pyridazino[4,5-b]indol-4-one.
What is the SMILES notation for 5-ethyl-8-methoxy-3-(4-methoxyphenyl)pyridazino[4,5-b]indol-4-one?
The canonical SMILES for 5-ethyl-8-methoxy-3-(4-methoxyphenyl)pyridazino[4,5-b]indol-4-one is CCn1c2ccc(OC)cc2c2cnn(-c3ccc(OC)cc3)c(=O)c21.
What is the InChIKey of 5-ethyl-8-methoxy-3-(4-methoxyphenyl)pyridazino[4,5-b]indol-4-one?
The InChIKey is KLRPINRNCOQQOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-4-22-18-10-9-15(26-3)11-16(18)17-12-21-23(20(24)19(17)22)13-5-7-14(25-2)8-6-13/h5-12H,4H2,1-3H3.
What are the key properties of 5-ethyl-8-methoxy-3-(4-methoxyphenyl)pyridazino[4,5-b]indol-4-one?
5-ethyl-8-methoxy-3-(4-methoxyphenyl)pyridazino[4,5-b]indol-4-one has a molecular weight of 349.39 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-8-methoxy-3-(4-methoxyphenyl)pyridazino[4,5-b]indol-4-one is sourced from PubChem (CID 4911333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).