N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide

C20H18N4O3 — CID 135521476

IUPACN-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
SMILESCOc1cccc(/C=N/NC(=O)c2[nH]nc3c2CCc2ccccc2-3)c1O
InChIInChI=1S/C20H18N4O3/c1-27-16-8-4-6-13(19(16)25)11-21-24-20(26)18-15-10-9-12-5-2-3-7-14(12)17(15)22-23-18/h2-8,11,25H,9-10H2,1H3,(H,22,23)(H,24,26)/b21-11+
InChIKeyDGLXRWSEVVONPC-SRZZPIQSSA-N
MW362.39 g/mol
LogP2.65
Rot. Bonds4

About N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide

N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide (PubChem CID 135521476) has the molecular formula C20H18N4O3 and a molecular weight of 362.39 g/mol. Its IUPAC name is N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
PubChem CID135521476
Molecular FormulaC20H18N4O3
Molecular Weight362.39 g/mol
Exact Mass362.14
IUPAC NameN-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
SMILESCOc1cccc(/C=N/NC(=O)c2[nH]nc3c2CCc2ccccc2-3)c1O
InChIInChI=1S/C20H18N4O3/c1-27-16-8-4-6-13(19(16)25)11-21-24-20(26)18-15-10-9-12-5-2-3-7-14(12)17(15)22-23-18/h2-8,11,25H,9-10H2,1H3,(H,22,23)(H,24,26)/b21-11+
InChIKeyDGLXRWSEVVONPC-SRZZPIQSSA-N
XLogP2.65
TPSA99.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[(E)-(3-methoxyphenyl)methylidene]-4,5-dihydro-1H-benzo[g]indazole-3-carbohydrazide
CID 6862143
N'-(3-Ethoxy-4-HO-benzylidene)-3-(3-methoxyphenyl)-1H-pyrazole-5-carbohydrazide
CID 135405834
N'-(2-HO-3-Methoxybenzylidene)-3-(3-nitrophenyl)-1H-pyrazole-5-carbohydrazide
CID 135423289
(E)-N'-(3,4-dimethoxybenzylidene)-4,5-dihydro-1H-benzo[g]indazole-3-carbohydrazide
CID 6862138
3-(1-adamantyl)-N'-(4-hydroxy-3-methoxybenzylidene)-1H-pyrazole-5-carbohydrazide
CID 135501774
(E)-N'-(4-hydroxy-3-methoxybenzylidene)-4,5-dihydro-1H-benzo[g]indazole-3-carbohydrazide
CID 135517133
(E)-3-cyclopropyl-N'-(3-ethoxy-2-hydroxybenzylidene)-1H-pyrazole-5-carbohydrazide
CID 135648744
N'-[(2-hydroxy-1-naphthyl)methylene]-4,5,6,7-tetrahydro-1H-indazole-3-carbohydrazide
CID 135411740
(E)-N'-(4-hydroxy-3-methoxybenzylidene)-3-(4-methoxyphenyl)-1H-pyrazole-5-carbohydrazide
CID 135642309
N'-[(1E)-(2,5-dimethoxyphenyl)methylene]-4,5-dihydro-1H-benzo[g]indazole-3-carbohydrazide
CID 6862151
N'-[(E)-(3,4-Dimethoxyphenyl)methylidene]-3-(2-naphthyl)-1H-pyrazole-5-carbohydrazide
CID 6889181
3-(1-adamantyl)-N'-(3-hydroxy-4-methoxybenzylidene)-1H-pyrazole-5-carbohydrazide
CID 9567230

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide?
The IUPAC name of N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide (CID 135521476) is N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide.
What is the SMILES notation for N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide?
The canonical SMILES for N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide is COc1cccc(/C=N/NC(=O)c2[nH]nc3c2CCc2ccccc2-3)c1O.
What is the InChIKey of N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide?
The InChIKey is DGLXRWSEVVONPC-SRZZPIQSSA-N. The full InChI is InChI=1S/C20H18N4O3/c1-27-16-8-4-6-13(19(16)25)11-21-24-20(26)18-15-10-9-12-5-2-3-7-14(12)17(15)22-23-18/h2-8,11,25H,9-10H2,1H3,(H,22,23)(H,24,26)/b21-11+.
What are the key properties of N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide?
N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide has a molecular weight of 362.39 g/mol, XLogP of 2.65, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide is sourced from PubChem (CID 135521476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).