2-hydroxy-N-[(Z)-(6-methoxy-1H-indol-3-yl)methylideneamino]benzamide

C17H15N3O3 — CID 136705009

IUPAC2-hydroxy-N-[(Z)-(6-methoxy-1H-indol-3-yl)methylideneamino]benzamide
SMILESCOc1ccc2c(/C=N\NC(=O)c3ccccc3O)c[nH]c2c1
InChIInChI=1S/C17H15N3O3/c1-23-12-6-7-13-11(9-18-15(13)8-12)10-19-20-17(22)14-4-2-3-5-16(14)21/h2-10,18,21H,1H3,(H,20,22)/b19-10-
InChIKeyWYVMPEVQWPMZDD-GRSHGNNSSA-N
MW309.33 g/mol
LogP2.65
Rot. Bonds4

About 2-hydroxy-N-[(Z)-(6-methoxy-1H-indol-3-yl)methylideneamino]benzamide

2-hydroxy-N-[(Z)-(6-methoxy-1H-indol-3-yl)methylideneamino]benzamide (PubChem CID 136705009) has the molecular formula C17H15N3O3 and a molecular weight of 309.33 g/mol. Its IUPAC name is 2-hydroxy-N-[(Z)-(6-methoxy-1H-indol-3-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name2-hydroxy-N-[(Z)-(6-methoxy-1H-indol-3-yl)methylideneamino]benzamide
PubChem CID136705009
Molecular FormulaC17H15N3O3
Molecular Weight309.33 g/mol
Exact Mass309.11
IUPAC Name2-hydroxy-N-[(Z)-(6-methoxy-1H-indol-3-yl)methylideneamino]benzamide
SMILESCOc1ccc2c(/C=N\NC(=O)c3ccccc3O)c[nH]c2c1
InChIInChI=1S/C17H15N3O3/c1-23-12-6-7-13-11(9-18-15(13)8-12)10-19-20-17(22)14-4-2-3-5-16(14)21/h2-10,18,21H,1H3,(H,20,22)/b19-10-
InChIKeyWYVMPEVQWPMZDD-GRSHGNNSSA-N
XLogP2.65
TPSA86.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 52.65
H-Bond Donors ≤ 53
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'}

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Related Compounds

2-hydroxy-N-[(Z)-(2-hydroxy-4-methoxyphenyl)methylideneamino]benzamide
CID 135883025
N-[(E)-(2-bromo-5-methoxyphenyl)methylideneamino]-2-hydroxybenzamide
CID 44507388
N-[(E)-1H-indol-3-ylmethylideneamino]-3-methoxybenzamide
CID 135458765
2-hydroxy-N-[(Z)-(2-hydroxyphenyl)methylideneamino]-4-methoxybenzamide
CID 137156038
N-(1H-indol-3-ylmethylideneamino)-3,5-dimethoxybenzamide
CID 966844
3-hydroxy-N-[(E)-(6-phenylmethoxy-1H-indol-3-yl)methylideneamino]naphthalene-2-carboxamide
CID 135804216
4-methoxy-N-[(6-phenylmethoxy-1H-indol-3-yl)methylideneamino]thiophene-3-carboxamide
CID 135414083
N-[(E)-1H-indol-3-ylmethylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 135715615
N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-1H-indole-3-carboxamide
CID 5414551
N-[(E)-(5-methoxy-1H-indol-3-yl)methylideneamino]pyridine-2-carboxamide
CID 135399898
5-bromo-2-hydroxy-N-[(Z)-1H-indol-3-ylmethylideneamino]benzamide
CID 136711415
N-[(E)-1H-indol-3-ylmethylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 135497938

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[(Z)-(6-methoxy-1H-indol-3-yl)methylideneamino]benzamide?
The IUPAC name of 2-hydroxy-N-[(Z)-(6-methoxy-1H-indol-3-yl)methylideneamino]benzamide (CID 136705009) is 2-hydroxy-N-[(Z)-(6-methoxy-1H-indol-3-yl)methylideneamino]benzamide.
What is the SMILES notation for 2-hydroxy-N-[(Z)-(6-methoxy-1H-indol-3-yl)methylideneamino]benzamide?
The canonical SMILES for 2-hydroxy-N-[(Z)-(6-methoxy-1H-indol-3-yl)methylideneamino]benzamide is COc1ccc2c(/C=N\NC(=O)c3ccccc3O)c[nH]c2c1.
What is the InChIKey of 2-hydroxy-N-[(Z)-(6-methoxy-1H-indol-3-yl)methylideneamino]benzamide?
The InChIKey is WYVMPEVQWPMZDD-GRSHGNNSSA-N. The full InChI is InChI=1S/C17H15N3O3/c1-23-12-6-7-13-11(9-18-15(13)8-12)10-19-20-17(22)14-4-2-3-5-16(14)21/h2-10,18,21H,1H3,(H,20,22)/b19-10-.
What are the key properties of 2-hydroxy-N-[(Z)-(6-methoxy-1H-indol-3-yl)methylideneamino]benzamide?
2-hydroxy-N-[(Z)-(6-methoxy-1H-indol-3-yl)methylideneamino]benzamide has a molecular weight of 309.33 g/mol, XLogP of 2.65, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[(Z)-(6-methoxy-1H-indol-3-yl)methylideneamino]benzamide is sourced from PubChem (CID 136705009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).