N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-1H-indole-7-carboxamide

C17H15N3O3 — CID 135959939

IUPACN-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-1H-indole-7-carboxamide
SMILESCOc1ccc(O)c(/C=N/NC(=O)c2cccc3cc[nH]c23)c1
InChIInChI=1S/C17H15N3O3/c1-23-13-5-6-15(21)12(9-13)10-19-20-17(22)14-4-2-3-11-7-8-18-16(11)14/h2-10,18,21H,1H3,(H,20,22)/b19-10+
InChIKeyIFSHGZNJSNLVCN-VXLYETTFSA-N
MW309.33 g/mol
LogP2.65
Rot. Bonds4

About N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-1H-indole-7-carboxamide

N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-1H-indole-7-carboxamide (PubChem CID 135959939) has the molecular formula C17H15N3O3 and a molecular weight of 309.33 g/mol. Its IUPAC name is N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-1H-indole-7-carboxamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-1H-indole-7-carboxamide
PubChem CID135959939
Molecular FormulaC17H15N3O3
Molecular Weight309.33 g/mol
Exact Mass309.11
IUPAC NameN-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-1H-indole-7-carboxamide
SMILESCOc1ccc(O)c(/C=N/NC(=O)c2cccc3cc[nH]c23)c1
InChIInChI=1S/C17H15N3O3/c1-23-13-5-6-15(21)12(9-13)10-19-20-17(22)14-4-2-3-11-7-8-18-16(11)14/h2-10,18,21H,1H3,(H,20,22)/b19-10+
InChIKeyIFSHGZNJSNLVCN-VXLYETTFSA-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': '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

1-hydroxy-N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]naphthalene-2-carboxamide
CID 135959919
N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-(methanesulfonamido)benzamide
CID 135960004
5-fluoro-2-hydroxy-N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]benzamide
CID 135959958
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-1H-indole-7-carboxamide
CID 5339577
N-[(E)-(2-bromo-5-methoxyphenyl)methylideneamino]-2-hydroxybenzamide
CID 44507388
2-hydroxy-N-[(Z)-(2-hydroxyphenyl)methylideneamino]-4-methoxybenzamide
CID 137156038
2-hydroxy-N-[(Z)-(2-hydroxy-4-methoxyphenyl)methylideneamino]benzamide
CID 135883025
N-[(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-methylquinoline-4-carboxamide
CID 3603749
N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-methylquinoline-4-carboxamide
CID 135717252
N-[(Z)-(2-hydroxy-5-methoxyphenyl)methylideneamino]pyridine-2-carboxamide
CID 136863964
2-hydroxy-N-[(Z)-(6-methoxy-1H-indol-3-yl)methylideneamino]benzamide
CID 136705009
2-[(E)-(1H-indole-7-carbonylhydrazinylidene)methyl]-4-nitrophenolate
CID 6870682

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-1H-indole-7-carboxamide?
The IUPAC name of N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-1H-indole-7-carboxamide (CID 135959939) is N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-1H-indole-7-carboxamide.
What is the SMILES notation for N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-1H-indole-7-carboxamide?
The canonical SMILES for N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-1H-indole-7-carboxamide is COc1ccc(O)c(/C=N/NC(=O)c2cccc3cc[nH]c23)c1.
What is the InChIKey of N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-1H-indole-7-carboxamide?
The InChIKey is IFSHGZNJSNLVCN-VXLYETTFSA-N. The full InChI is InChI=1S/C17H15N3O3/c1-23-13-5-6-15(21)12(9-13)10-19-20-17(22)14-4-2-3-11-7-8-18-16(11)14/h2-10,18,21H,1H3,(H,20,22)/b19-10+.
What are the key properties of N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-1H-indole-7-carboxamide?
N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-1H-indole-7-carboxamide 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 N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-1H-indole-7-carboxamide is sourced from PubChem (CID 135959939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).