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

C18H14FN3O3 — CID 135472162

IUPAC3-(4-fluorophenyl)-7,8-dimethoxy-5H-pyridazino[4,5-b]indol-4-one
SMILESCOc1cc2[nH]c3c(=O)n(-c4ccc(F)cc4)ncc3c2cc1OC
InChIInChI=1S/C18H14FN3O3/c1-24-15-7-12-13-9-20-22(11-5-3-10(19)4-6-11)18(23)17(13)21-14(12)8-16(15)25-2/h3-9,21H,1-2H3
InChIKeyMDXGRVLZFNCXGU-UHFFFAOYSA-N
MW339.33 g/mol
LogP3.02
Rot. Bonds3

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

3-(4-fluorophenyl)-7,8-dimethoxy-5H-pyridazino[4,5-b]indol-4-one (PubChem CID 135472162) has the molecular formula C18H14FN3O3 and a molecular weight of 339.33 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-7,8-dimethoxy-5H-pyridazino[4,5-b]indol-4-one.

Molecular Properties

Compound Name3-(4-fluorophenyl)-7,8-dimethoxy-5H-pyridazino[4,5-b]indol-4-one
PubChem CID135472162
Molecular FormulaC18H14FN3O3
Molecular Weight339.33 g/mol
Exact Mass339.10
IUPAC Name3-(4-fluorophenyl)-7,8-dimethoxy-5H-pyridazino[4,5-b]indol-4-one
SMILESCOc1cc2[nH]c3c(=O)n(-c4ccc(F)cc4)ncc3c2cc1OC
InChIInChI=1S/C18H14FN3O3/c1-24-15-7-12-13-9-20-22(11-5-3-10(19)4-6-11)18(23)17(13)21-14(12)8-16(15)25-2/h3-9,21H,1-2H3
InChIKeyMDXGRVLZFNCXGU-UHFFFAOYSA-N
XLogP3.02
TPSA69.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.33
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-2-(4-fluorophenyl)-5-methoxypyridazin-3-one
CID 1487494
3-[2-(dimethylamino)ethyl]-7,8-dimethoxy-5H-pyridazino[4,5-b]indol-4-one
CID 135472238
3-(4-methoxyphenyl)-5,7-dimethyl-6H-pyrrolo[3,4-d]pyridazin-4-one
CID 172852843
5-(4-fluorophenyl)-1-(4-methoxyphenyl)-6-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 122190736
8-methoxy-2-(4-methoxyphenyl)-6-methylphthalazin-1-one
CID 159088215
N-(3,4-dimethoxyphenyl)-2-[1-(4-fluorophenyl)-7-oxo-4-propan-2-ylpyrazolo[4,5-d]pyridazin-6-yl]acetamide
CID 16847073
2-(3,4-dimethoxyphenyl)-1,2,4-triazine-3,5-dione
CID 12569276
N-(2,5-dimethoxyphenyl)-2-[1-(4-fluorophenyl)-7-oxo-4-propan-2-ylpyrazolo[4,5-d]pyridazin-6-yl]acetamide
CID 16847072
N-(2,5-dimethoxyphenyl)-3-[1-(4-fluorophenyl)-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanamide
CID 16882640
4-(3,5-dimethylpyrazol-1-yl)-7,8-dimethoxy-5H-pyridazino[4,5-b]indole
CID 6410719
3-fluoro-6,7-dimethoxy-4-methyl-1H-quinolin-2-one
CID 141228564
4-chloro-5-methoxy-2-(4-methylsulfanylphenyl)pyridazin-3-one
CID 142673833

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-7,8-dimethoxy-5H-pyridazino[4,5-b]indol-4-one?
The IUPAC name of 3-(4-fluorophenyl)-7,8-dimethoxy-5H-pyridazino[4,5-b]indol-4-one (CID 135472162) is 3-(4-fluorophenyl)-7,8-dimethoxy-5H-pyridazino[4,5-b]indol-4-one.
What is the SMILES notation for 3-(4-fluorophenyl)-7,8-dimethoxy-5H-pyridazino[4,5-b]indol-4-one?
The canonical SMILES for 3-(4-fluorophenyl)-7,8-dimethoxy-5H-pyridazino[4,5-b]indol-4-one is COc1cc2[nH]c3c(=O)n(-c4ccc(F)cc4)ncc3c2cc1OC.
What is the InChIKey of 3-(4-fluorophenyl)-7,8-dimethoxy-5H-pyridazino[4,5-b]indol-4-one?
The InChIKey is MDXGRVLZFNCXGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3O3/c1-24-15-7-12-13-9-20-22(11-5-3-10(19)4-6-11)18(23)17(13)21-14(12)8-16(15)25-2/h3-9,21H,1-2H3.
What are the key properties of 3-(4-fluorophenyl)-7,8-dimethoxy-5H-pyridazino[4,5-b]indol-4-one?
3-(4-fluorophenyl)-7,8-dimethoxy-5H-pyridazino[4,5-b]indol-4-one has a molecular weight of 339.33 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-7,8-dimethoxy-5H-pyridazino[4,5-b]indol-4-one is sourced from PubChem (CID 135472162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).