5-ethyl-7,9-dimethoxy-1-methyl-3-propan-2-ylpyridazino[4,5-b]indol-4-one

C18H23N3O3 — CID 4912354

IUPAC5-ethyl-7,9-dimethoxy-1-methyl-3-propan-2-ylpyridazino[4,5-b]indol-4-one
SMILESCCn1c2cc(OC)cc(OC)c2c2c(C)nn(C(C)C)c(=O)c21
InChIInChI=1S/C18H23N3O3/c1-7-20-13-8-12(23-5)9-14(24-6)16(13)15-11(4)19-21(10(2)3)18(22)17(15)20/h8-10H,7H2,1-6H3
InChIKeyLEFMWEKBQGWDEE-UHFFFAOYSA-N
MW329.40 g/mol
LogP3.28
Rot. Bonds4

About 5-ethyl-7,9-dimethoxy-1-methyl-3-propan-2-ylpyridazino[4,5-b]indol-4-one

5-ethyl-7,9-dimethoxy-1-methyl-3-propan-2-ylpyridazino[4,5-b]indol-4-one (PubChem CID 4912354) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 5-ethyl-7,9-dimethoxy-1-methyl-3-propan-2-ylpyridazino[4,5-b]indol-4-one.

Molecular Properties

Compound Name5-ethyl-7,9-dimethoxy-1-methyl-3-propan-2-ylpyridazino[4,5-b]indol-4-one
PubChem CID4912354
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name5-ethyl-7,9-dimethoxy-1-methyl-3-propan-2-ylpyridazino[4,5-b]indol-4-one
SMILESCCn1c2cc(OC)cc(OC)c2c2c(C)nn(C(C)C)c(=O)c21
InChIInChI=1S/C18H23N3O3/c1-7-20-13-8-12(23-5)9-14(24-6)16(13)15-11(4)19-21(10(2)3)18(22)17(15)20/h8-10H,7H2,1-6H3
InChIKeyLEFMWEKBQGWDEE-UHFFFAOYSA-N
XLogP3.28
TPSA58.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3,5-diethyl-7,9-dimethoxypyridazino[4,5-b]indol-4-one
CID 4912346
5,12-diethyl-1,3,8,10-tetramethoxyquinolino[2,3-b]acridine-7,14-dione
CID 141053736
3-(aminomethyl)-5,7-dimethoxy-1,4-dimethylquinolin-2-one
CID 84638829
3-amino-7,9-dimethoxy-2-(5-methoxy-2-methylphenyl)-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one
CID 23153910
3-ethyl-2-(4-methoxy-2-methylsulfanylphenyl)-7-methyl-5-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-one
CID 68527531
4-chloro-5,7-dimethoxy-1-[(4-methoxyphenyl)methyl]-2-oxoquinoline-3-carbonitrile
CID 23153965
(2S)-N-[(2,5-dimethoxyphenyl)methyl]-2-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)propanamide
CID 92505460
3-ethyl-2-[4-methoxy-2-(trifluoromethyl)phenyl]-7-methyl-5-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-one
CID 68528547
5-ethyl-2,3,8,9-tetramethoxyphenanthridin-6-one
CID 10405159
6-ethyl-5-(3-methoxyanilino)-1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-one
CID 39894200
4-[(4-methoxy-3-methylphenyl)methyl]-3,5-dimethyl-1-propan-2-ylpyrazole
CID 138379101
2-(4,6-dimethoxy-1-methylindol-3-yl)propan-1-amine
CID 82498789

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-7,9-dimethoxy-1-methyl-3-propan-2-ylpyridazino[4,5-b]indol-4-one?
The IUPAC name of 5-ethyl-7,9-dimethoxy-1-methyl-3-propan-2-ylpyridazino[4,5-b]indol-4-one (CID 4912354) is 5-ethyl-7,9-dimethoxy-1-methyl-3-propan-2-ylpyridazino[4,5-b]indol-4-one.
What is the SMILES notation for 5-ethyl-7,9-dimethoxy-1-methyl-3-propan-2-ylpyridazino[4,5-b]indol-4-one?
The canonical SMILES for 5-ethyl-7,9-dimethoxy-1-methyl-3-propan-2-ylpyridazino[4,5-b]indol-4-one is CCn1c2cc(OC)cc(OC)c2c2c(C)nn(C(C)C)c(=O)c21.
What is the InChIKey of 5-ethyl-7,9-dimethoxy-1-methyl-3-propan-2-ylpyridazino[4,5-b]indol-4-one?
The InChIKey is LEFMWEKBQGWDEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-7-20-13-8-12(23-5)9-14(24-6)16(13)15-11(4)19-21(10(2)3)18(22)17(15)20/h8-10H,7H2,1-6H3.
What are the key properties of 5-ethyl-7,9-dimethoxy-1-methyl-3-propan-2-ylpyridazino[4,5-b]indol-4-one?
5-ethyl-7,9-dimethoxy-1-methyl-3-propan-2-ylpyridazino[4,5-b]indol-4-one has a molecular weight of 329.40 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-7,9-dimethoxy-1-methyl-3-propan-2-ylpyridazino[4,5-b]indol-4-one is sourced from PubChem (CID 4912354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).