N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-5-methoxy-1H-indole-2-carboxamide

C17H15N3O4 — CID 135651479

IUPACN-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-5-methoxy-1H-indole-2-carboxamide
SMILESCOc1ccc2[nH]c(C(=O)N/N=C/c3ccc(O)cc3O)cc2c1
InChIInChI=1S/C17H15N3O4/c1-24-13-4-5-14-11(6-13)7-15(19-14)17(23)20-18-9-10-2-3-12(21)8-16(10)22/h2-9,19,21-22H,1H3,(H,20,23)/b18-9+
InChIKeyKHJSVZOIVVERSC-GIJQJNRQSA-N
MW325.32 g/mol
LogP2.35
Rot. Bonds4

About N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-5-methoxy-1H-indole-2-carboxamide

N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-5-methoxy-1H-indole-2-carboxamide (PubChem CID 135651479) has the molecular formula C17H15N3O4 and a molecular weight of 325.32 g/mol. Its IUPAC name is N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-5-methoxy-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-5-methoxy-1H-indole-2-carboxamide
PubChem CID135651479
Molecular FormulaC17H15N3O4
Molecular Weight325.32 g/mol
Exact Mass325.11
IUPAC NameN-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-5-methoxy-1H-indole-2-carboxamide
SMILESCOc1ccc2[nH]c(C(=O)N/N=C/c3ccc(O)cc3O)cc2c1
InChIInChI=1S/C17H15N3O4/c1-24-13-4-5-14-11(6-13)7-15(19-14)17(23)20-18-9-10-2-3-12(21)8-16(10)22/h2-9,19,21-22H,1H3,(H,20,23)/b18-9+
InChIKeyKHJSVZOIVVERSC-GIJQJNRQSA-N
XLogP2.35
TPSA106.94 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 52.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hzone_phenol_B(215)', '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-(3-methoxyphenethyl)-5-((R)-2-((R)-2-hydroxy-2-(4-hydroxy-3-(hydroxymethyl)phenyl)ethylamino)propyl)-1H-indole-2-carboxamide
CID 10006800
5-methoxy-N-[[4-(propylaminocarbamoyl)phenyl]methyl]-1H-indole-2-carboxamide
CID 166629751
5,6-dimethoxy-N-[(E)-(4-methoxyphenyl)methylideneamino]-1H-indole-2-carboxamide
CID 6889967
N'-[(E)-(4-fluorophenyl)methylidene]-5,6-dimethoxy-1H-indole-2-carbohydrazide
CID 9557764
N'-[(E)-(4-Hydroxy-3-methoxyphenyl)methylidene]-1H-indole-2-carbohydrazide
CID 135580822
5-methoxy-N-phenethyl-1H-indole-2-carboxamide
CID 2742896
4,5,6-trimethoxy-N-(2-phenylethyl)-1H-indole-2-carboxamide
CID 4870182
4,5-dimethoxy-N-[(E)-(2-methoxyphenyl)methylideneamino]-1H-indole-2-carboxamide
CID 6878444
6-methoxy-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-1H-indole-2-carboxamide
CID 6879573
5-ethoxy-N'-[(E)-(4-methoxyphenyl)methylidene]-1H-indole-2-carbohydrazide
CID 6885106
N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-5-methoxy-1H-indole-2-carboxamide
CID 6890547
N'-[(E)-(2-hydroxyphenyl)methylidene]-4,7-dimethoxy-1H-indole-2-carbohydrazide
CID 135651303

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-5-methoxy-1H-indole-2-carboxamide?
The IUPAC name of N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-5-methoxy-1H-indole-2-carboxamide (CID 135651479) is N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-5-methoxy-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-5-methoxy-1H-indole-2-carboxamide?
The canonical SMILES for N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-5-methoxy-1H-indole-2-carboxamide is COc1ccc2[nH]c(C(=O)N/N=C/c3ccc(O)cc3O)cc2c1.
What is the InChIKey of N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-5-methoxy-1H-indole-2-carboxamide?
The InChIKey is KHJSVZOIVVERSC-GIJQJNRQSA-N. The full InChI is InChI=1S/C17H15N3O4/c1-24-13-4-5-14-11(6-13)7-15(19-14)17(23)20-18-9-10-2-3-12(21)8-16(10)22/h2-9,19,21-22H,1H3,(H,20,23)/b18-9+.
What are the key properties of N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-5-methoxy-1H-indole-2-carboxamide?
N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-5-methoxy-1H-indole-2-carboxamide has a molecular weight of 325.32 g/mol, XLogP of 2.35, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-5-methoxy-1H-indole-2-carboxamide is sourced from PubChem (CID 135651479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).