3,4,5-trimethoxy-N'-(1,2,3,4-tetrahydroacridin-9-yl)benzohydrazide

C23H25N3O4 — CID 11854653

IUPAC3,4,5-trimethoxy-N'-(1,2,3,4-tetrahydroacridin-9-yl)benzohydrazide
SMILESCOc1cc(C(=O)NNc2c3c(nc4ccccc24)CCCC3)cc(OC)c1OC
InChIInChI=1S/C23H25N3O4/c1-28-19-12-14(13-20(29-2)22(19)30-3)23(27)26-25-21-15-8-4-6-10-17(15)24-18-11-7-5-9-16(18)21/h4,6,8,10,12-13H,5,7,9,11H2,1-3H3,(H,24,25)(H,26,27)
InChIKeyORHYETPDBZUFJW-UHFFFAOYSA-N
MW407.47 g/mol
LogP3.90
Rot. Bonds6

About 3,4,5-trimethoxy-N'-(1,2,3,4-tetrahydroacridin-9-yl)benzohydrazide

3,4,5-trimethoxy-N'-(1,2,3,4-tetrahydroacridin-9-yl)benzohydrazide (PubChem CID 11854653) has the molecular formula C23H25N3O4 and a molecular weight of 407.47 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N'-(1,2,3,4-tetrahydroacridin-9-yl)benzohydrazide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N'-(1,2,3,4-tetrahydroacridin-9-yl)benzohydrazide
PubChem CID11854653
Molecular FormulaC23H25N3O4
Molecular Weight407.47 g/mol
Exact Mass407.18
IUPAC Name3,4,5-trimethoxy-N'-(1,2,3,4-tetrahydroacridin-9-yl)benzohydrazide
SMILESCOc1cc(C(=O)NNc2c3c(nc4ccccc24)CCCC3)cc(OC)c1OC
InChIInChI=1S/C23H25N3O4/c1-28-19-12-14(13-20(29-2)22(19)30-3)23(27)26-25-21-15-8-4-6-10-17(15)24-18-11-7-5-9-16(18)21/h4,6,8,10,12-13H,5,7,9,11H2,1-3H3,(H,24,25)(H,26,27)
InChIKeyORHYETPDBZUFJW-UHFFFAOYSA-N
XLogP3.90
TPSA81.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3,4,5-trimethoxy-N-(6-oxo-6-(2-(1,2,3,4-tetrahydroacridin-9-yl)hydrazino)hexyl)-benzamide
CID 16094856
3,4,5-trimethoxy-N-(8-oxo-8-(2-(1,2,3,4-tetrahydroacridin-9-yl)hydrazino)octyl)-benzamide
CID 16094857
3-(3,4,5-trimethoxyphenyl)-N-(4-oxo-4-(2-(1,2,3,4-tetrahydroacridin-9-yl)hydrazino)-butyl)propanamide
CID 16094859
3-(3,4,5-trimethoxyphenyl)-N-(6-oxo-6-(2-(1,2,3,4-tetrahydroacridin-9-yl)hydrazino)-hexyl)propanamide
CID 16094860
3,4,5-trimethoxy-N-(7-oxo-7-(2-(1,2,3,4-tetrahydroacridin-9-yl)hydrazino)heptyl)-benzamide
CID 16094873
3-(3,4,5-trimethoxyphenyl)-N-(5-oxo-5-(2-(1,2,3,4-tetrahydroacridin-9-yl)hydrazino)-pentyl)propanamide
CID 16094876
CID 45139825
CID 45139825
3,4-dimethoxy-N-[(2-methylquinolin-4-yl)methyl]benzamide
CID 1504527
Tacrine derivative 16a
CID 16094841
3,4,5-trimethoxy-N-(3-oxo-3-(2-(1,2,3,4-tetrahydroacridin-9-yl)hydrazino)propyl)-benzamide
CID 16094854
3,4,5-trimethoxy-N-(4-oxo-4-(2-(1,2,3,4-tetrahydroacridin-9-yl)hydrazino)butyl)-benzamide
CID 16094855
3-(3,4,5-trimethoxyphenyl)-N-(3-oxo-3-(2-(1,2,3,4-tetrahydroacridin-9-yl)hydrazino)-propyl)propanamide
CID 16094858

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N'-(1,2,3,4-tetrahydroacridin-9-yl)benzohydrazide?
The IUPAC name of 3,4,5-trimethoxy-N'-(1,2,3,4-tetrahydroacridin-9-yl)benzohydrazide (CID 11854653) is 3,4,5-trimethoxy-N'-(1,2,3,4-tetrahydroacridin-9-yl)benzohydrazide.
What is the SMILES notation for 3,4,5-trimethoxy-N'-(1,2,3,4-tetrahydroacridin-9-yl)benzohydrazide?
The canonical SMILES for 3,4,5-trimethoxy-N'-(1,2,3,4-tetrahydroacridin-9-yl)benzohydrazide is COc1cc(C(=O)NNc2c3c(nc4ccccc24)CCCC3)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N'-(1,2,3,4-tetrahydroacridin-9-yl)benzohydrazide?
The InChIKey is ORHYETPDBZUFJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4/c1-28-19-12-14(13-20(29-2)22(19)30-3)23(27)26-25-21-15-8-4-6-10-17(15)24-18-11-7-5-9-16(18)21/h4,6,8,10,12-13H,5,7,9,11H2,1-3H3,(H,24,25)(H,26,27).
What are the key properties of 3,4,5-trimethoxy-N'-(1,2,3,4-tetrahydroacridin-9-yl)benzohydrazide?
3,4,5-trimethoxy-N'-(1,2,3,4-tetrahydroacridin-9-yl)benzohydrazide has a molecular weight of 407.47 g/mol, XLogP of 3.90, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N'-(1,2,3,4-tetrahydroacridin-9-yl)benzohydrazide is sourced from PubChem (CID 11854653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).