N'-(3,3-dimethyl-4H-isoquinolin-1-yl)-3,4,5-trimethoxybenzohydrazide

C21H25N3O4 — CID 3101537

IUPACN'-(3,3-dimethyl-4H-isoquinolin-1-yl)-3,4,5-trimethoxybenzohydrazide
SMILESCOc1cc(C(=O)NNC2=NC(C)(C)Cc3ccccc32)cc(OC)c1OC
InChIInChI=1S/C21H25N3O4/c1-21(2)12-13-8-6-7-9-15(13)19(22-21)23-24-20(25)14-10-16(26-3)18(28-5)17(11-14)27-4/h6-11H,12H2,1-5H3,(H,22,23)(H,24,25)
InChIKeyRMTTWWCANKQJCA-UHFFFAOYSA-N
MW383.45 g/mol
LogP2.73
Rot. Bonds4

About N'-(3,3-dimethyl-4H-isoquinolin-1-yl)-3,4,5-trimethoxybenzohydrazide

N'-(3,3-dimethyl-4H-isoquinolin-1-yl)-3,4,5-trimethoxybenzohydrazide (PubChem CID 3101537) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is N'-(3,3-dimethyl-4H-isoquinolin-1-yl)-3,4,5-trimethoxybenzohydrazide.

Molecular Properties

Compound NameN'-(3,3-dimethyl-4H-isoquinolin-1-yl)-3,4,5-trimethoxybenzohydrazide
PubChem CID3101537
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC NameN'-(3,3-dimethyl-4H-isoquinolin-1-yl)-3,4,5-trimethoxybenzohydrazide
SMILESCOc1cc(C(=O)NNC2=NC(C)(C)Cc3ccccc32)cc(OC)c1OC
InChIInChI=1S/C21H25N3O4/c1-21(2)12-13-8-6-7-9-15(13)19(22-21)23-24-20(25)14-10-16(26-3)18(28-5)17(11-14)27-4/h6-11H,12H2,1-5H3,(H,22,23)(H,24,25)
InChIKeyRMTTWWCANKQJCA-UHFFFAOYSA-N
XLogP2.73
TPSA81.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N'-(3,3-dimethyl-4H-isoquinolin-1-yl)-3,4,5-trimethoxybenzohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,3-dimethyl-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-4H-isoquinolin-1-amine;hydrochloride
CID 146050753
N'-(3,3-dimethyl-4H-isoquinolin-1-yl)-2-nitrobenzohydrazide
CID 3100283
N'-acridin-9-yl-3,4,5-trimethoxybenzohydrazide
CID 3138565
N'-(6,7-dimethoxy-3,3-dimethyl-4H-isoquinolin-1-yl)-2,2,3,3-tetrafluoropropanehydrazide
CID 4247766
N'-acetyl-3,4,5-trimethoxybenzohydrazide
CID 913637
N-(1,3-dioxoisoindol-2-yl)-3,4,5-trimethoxybenzamide
CID 1008664
3,4,5-trimethoxy-N'-(4-nitrophenyl)benzohydrazide
CID 3705652
3,4,5-trimethoxy-N-sulfanylbenzamide
CID 59695341
3,4,5-trimethoxy-N-[2-[(2-methoxyphenyl)carbamoyl]phenyl]benzamide
CID 990875
N'-[2-(2-fluorophenyl)acetyl]-3,4,5-trimethoxybenzohydrazide
CID 2117359
N'-(3-iodobenzoyl)-3,4,5-trimethoxybenzohydrazide
CID 2715629
3-[[(3,4,5-trimethoxybenzoyl)amino]carbamoyl]benzamide
CID 43056910

Frequently Asked Questions

What is the IUPAC name of N'-(3,3-dimethyl-4H-isoquinolin-1-yl)-3,4,5-trimethoxybenzohydrazide?
The IUPAC name of N'-(3,3-dimethyl-4H-isoquinolin-1-yl)-3,4,5-trimethoxybenzohydrazide (CID 3101537) is N'-(3,3-dimethyl-4H-isoquinolin-1-yl)-3,4,5-trimethoxybenzohydrazide.
What is the SMILES notation for N'-(3,3-dimethyl-4H-isoquinolin-1-yl)-3,4,5-trimethoxybenzohydrazide?
The canonical SMILES for N'-(3,3-dimethyl-4H-isoquinolin-1-yl)-3,4,5-trimethoxybenzohydrazide is COc1cc(C(=O)NNC2=NC(C)(C)Cc3ccccc32)cc(OC)c1OC.
What is the InChIKey of N'-(3,3-dimethyl-4H-isoquinolin-1-yl)-3,4,5-trimethoxybenzohydrazide?
The InChIKey is RMTTWWCANKQJCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4/c1-21(2)12-13-8-6-7-9-15(13)19(22-21)23-24-20(25)14-10-16(26-3)18(28-5)17(11-14)27-4/h6-11H,12H2,1-5H3,(H,22,23)(H,24,25).
What are the key properties of N'-(3,3-dimethyl-4H-isoquinolin-1-yl)-3,4,5-trimethoxybenzohydrazide?
N'-(3,3-dimethyl-4H-isoquinolin-1-yl)-3,4,5-trimethoxybenzohydrazide has a molecular weight of 383.45 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,3-dimethyl-4H-isoquinolin-1-yl)-3,4,5-trimethoxybenzohydrazide is sourced from PubChem (CID 3101537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).