7,8-dimethoxy-1,5-dimethyl-3-phenylpyridazino[4,5-b]indol-4-one

C20H19N3O3 — CID 4905828

IUPAC7,8-dimethoxy-1,5-dimethyl-3-phenylpyridazino[4,5-b]indol-4-one
SMILESCOc1cc2c3c(C)nn(-c4ccccc4)c(=O)c3n(C)c2cc1OC
InChIInChI=1S/C20H19N3O3/c1-12-18-14-10-16(25-3)17(26-4)11-15(14)22(2)19(18)20(24)23(21-12)13-8-6-5-7-9-13/h5-11H,1-4H3
InChIKeyFLALZXRWEAPBDX-UHFFFAOYSA-N
MW349.39 g/mol
LogP3.20
Rot. Bonds3

About 7,8-dimethoxy-1,5-dimethyl-3-phenylpyridazino[4,5-b]indol-4-one

7,8-dimethoxy-1,5-dimethyl-3-phenylpyridazino[4,5-b]indol-4-one (PubChem CID 4905828) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is 7,8-dimethoxy-1,5-dimethyl-3-phenylpyridazino[4,5-b]indol-4-one.

Molecular Properties

Compound Name7,8-dimethoxy-1,5-dimethyl-3-phenylpyridazino[4,5-b]indol-4-one
PubChem CID4905828
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name7,8-dimethoxy-1,5-dimethyl-3-phenylpyridazino[4,5-b]indol-4-one
SMILESCOc1cc2c3c(C)nn(-c4ccccc4)c(=O)c3n(C)c2cc1OC
InChIInChI=1S/C20H19N3O3/c1-12-18-14-10-16(25-3)17(26-4)11-15(14)22(2)19(18)20(24)23(21-12)13-8-6-5-7-9-13/h5-11H,1-4H3
InChIKeyFLALZXRWEAPBDX-UHFFFAOYSA-N
XLogP3.20
TPSA58.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6,7-dimethoxy-1-methyl-4-phenylquinazolin-2-one
CID 158002363
methyl 2-(7-chloro-5-methyl-4-oxo-3-phenylpyridazino[4,5-b]indol-1-yl)acetate;hydrochloride
CID 158867076
2-(5,8-dimethyl-4-oxo-3-phenylpyridazino[4,5-b]indol-1-yl)acetonitrile
CID 21183749
8-chloro-5-methyl-4-oxo-3-phenylpyridazino[4,5-b]indole-1-carboxylic acid
CID 57216606
3-[3-(dimethylamino)propyl]-8-methoxy-1,5-dimethylpyridazino[4,5-b]indol-4-one
CID 4906216
1-(bromomethyl)-8-chloro-5-methyl-3-phenylpyridazino[4,5-b]indol-4-one
CID 21183757
1-(3-chlorophenyl)-3,5-dimethylpyrazolo[4,5-c]quinolin-4-one
CID 2785498
5-(3-bromophenyl)-7,8-dimethoxy-1-methyl-3-phenylpyrazolo[5,4-c]isoquinoline
CID 2867164
5-(2,3-dichlorophenyl)-7,8-dimethoxy-1-methyl-3-phenylpyrazolo[5,4-c]isoquinoline
CID 2263257
N-(3,4,5-trimethoxyphenyl)-3-(3,4,7-trimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 20961514
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2,4,5-trimethoxybenzamide
CID 51275514
8-hydroxy-4-methyl-2-phenylphthalazin-1-one
CID 5492996

Frequently Asked Questions

What is the IUPAC name of 7,8-dimethoxy-1,5-dimethyl-3-phenylpyridazino[4,5-b]indol-4-one?
The IUPAC name of 7,8-dimethoxy-1,5-dimethyl-3-phenylpyridazino[4,5-b]indol-4-one (CID 4905828) is 7,8-dimethoxy-1,5-dimethyl-3-phenylpyridazino[4,5-b]indol-4-one.
What is the SMILES notation for 7,8-dimethoxy-1,5-dimethyl-3-phenylpyridazino[4,5-b]indol-4-one?
The canonical SMILES for 7,8-dimethoxy-1,5-dimethyl-3-phenylpyridazino[4,5-b]indol-4-one is COc1cc2c3c(C)nn(-c4ccccc4)c(=O)c3n(C)c2cc1OC.
What is the InChIKey of 7,8-dimethoxy-1,5-dimethyl-3-phenylpyridazino[4,5-b]indol-4-one?
The InChIKey is FLALZXRWEAPBDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-12-18-14-10-16(25-3)17(26-4)11-15(14)22(2)19(18)20(24)23(21-12)13-8-6-5-7-9-13/h5-11H,1-4H3.
What are the key properties of 7,8-dimethoxy-1,5-dimethyl-3-phenylpyridazino[4,5-b]indol-4-one?
7,8-dimethoxy-1,5-dimethyl-3-phenylpyridazino[4,5-b]indol-4-one has a molecular weight of 349.39 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethoxy-1,5-dimethyl-3-phenylpyridazino[4,5-b]indol-4-one is sourced from PubChem (CID 4905828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).