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

C20H18N4O2 — CID 6862143

IUPACN-[(E)-(3-methoxyphenyl)methylideneamino]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
SMILESCOc1cccc(/C=N/NC(=O)c2[nH]nc3c2CCc2ccccc2-3)c1
InChIInChI=1S/C20H18N4O2/c1-26-15-7-4-5-13(11-15)12-21-24-20(25)19-17-10-9-14-6-2-3-8-16(14)18(17)22-23-19/h2-8,11-12H,9-10H2,1H3,(H,22,23)(H,24,25)/b21-12+
InChIKeyMYICZGNPQNELPQ-CIAFOILYSA-N
MW346.39 g/mol
LogP2.95
Rot. Bonds4

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

N-[(E)-(3-methoxyphenyl)methylideneamino]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide (PubChem CID 6862143) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is N-[(E)-(3-methoxyphenyl)methylideneamino]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-(3-methoxyphenyl)methylideneamino]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
PubChem CID6862143
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC NameN-[(E)-(3-methoxyphenyl)methylideneamino]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
SMILESCOc1cccc(/C=N/NC(=O)c2[nH]nc3c2CCc2ccccc2-3)c1
InChIInChI=1S/C20H18N4O2/c1-26-15-7-4-5-13(11-15)12-21-24-20(25)19-17-10-9-14-6-2-3-8-16(14)18(17)22-23-19/h2-8,11-12H,9-10H2,1H3,(H,22,23)(H,24,25)/b21-12+
InChIKeyMYICZGNPQNELPQ-CIAFOILYSA-N
XLogP2.95
TPSA79.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-methoxyphenyl)methylideneamino]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide?
The IUPAC name of N-[(E)-(3-methoxyphenyl)methylideneamino]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide (CID 6862143) is N-[(E)-(3-methoxyphenyl)methylideneamino]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide.
What is the SMILES notation for N-[(E)-(3-methoxyphenyl)methylideneamino]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide?
The canonical SMILES for N-[(E)-(3-methoxyphenyl)methylideneamino]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide is COc1cccc(/C=N/NC(=O)c2[nH]nc3c2CCc2ccccc2-3)c1.
What is the InChIKey of N-[(E)-(3-methoxyphenyl)methylideneamino]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide?
The InChIKey is MYICZGNPQNELPQ-CIAFOILYSA-N. The full InChI is InChI=1S/C20H18N4O2/c1-26-15-7-4-5-13(11-15)12-21-24-20(25)19-17-10-9-14-6-2-3-8-16(14)18(17)22-23-19/h2-8,11-12H,9-10H2,1H3,(H,22,23)(H,24,25)/b21-12+.
What are the key properties of N-[(E)-(3-methoxyphenyl)methylideneamino]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide?
N-[(E)-(3-methoxyphenyl)methylideneamino]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide has a molecular weight of 346.39 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-methoxyphenyl)methylideneamino]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide is sourced from PubChem (CID 6862143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).