N-[(E)-(2-hydroxyphenyl)methylideneamino]-4,6-dimethoxy-1H-indole-2-carboxamide

C18H17N3O4 — CID 135651729

IUPACN-[(E)-(2-hydroxyphenyl)methylideneamino]-4,6-dimethoxy-1H-indole-2-carboxamide
SMILESCOc1cc(OC)c2cc(C(=O)N/N=C/c3ccccc3O)[nH]c2c1
InChIInChI=1S/C18H17N3O4/c1-24-12-7-14-13(17(8-12)25-2)9-15(20-14)18(23)21-19-10-11-5-3-4-6-16(11)22/h3-10,20,22H,1-2H3,(H,21,23)/b19-10+
InChIKeyGPMKKBNSGVJPFJ-VXLYETTFSA-N
MW339.35 g/mol
LogP2.65
Rot. Bonds5

About N-[(E)-(2-hydroxyphenyl)methylideneamino]-4,6-dimethoxy-1H-indole-2-carboxamide

N-[(E)-(2-hydroxyphenyl)methylideneamino]-4,6-dimethoxy-1H-indole-2-carboxamide (PubChem CID 135651729) has the molecular formula C18H17N3O4 and a molecular weight of 339.35 g/mol. Its IUPAC name is N-[(E)-(2-hydroxyphenyl)methylideneamino]-4,6-dimethoxy-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxyphenyl)methylideneamino]-4,6-dimethoxy-1H-indole-2-carboxamide
PubChem CID135651729
Molecular FormulaC18H17N3O4
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC NameN-[(E)-(2-hydroxyphenyl)methylideneamino]-4,6-dimethoxy-1H-indole-2-carboxamide
SMILESCOc1cc(OC)c2cc(C(=O)N/N=C/c3ccccc3O)[nH]c2c1
InChIInChI=1S/C18H17N3O4/c1-24-12-7-14-13(17(8-12)25-2)9-15(20-14)18(23)21-19-10-11-5-3-4-6-16(11)22/h3-10,20,22H,1-2H3,(H,21,23)/b19-10+
InChIKeyGPMKKBNSGVJPFJ-VXLYETTFSA-N
XLogP2.65
TPSA95.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
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

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
1-[(3-carbamimidoylphenyl)methyl]-N-[(3,5-dimethoxyphenyl)methyl]-4-hydroxy-1H-indole-2-carboxamide
CID 11102544
4,5,6-trimethoxy-N-(2-phenylethyl)-1H-indole-2-carboxamide
CID 4870182
N-benzyl-6-methoxy-N-methyl-1H-indole-2-carboxamide
CID 4905426
N-[4-(diethylamino)phenyl]-4-methoxy-1H-indole-2-carboxamide
CID 4971710
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-Benzyl-6-methoxy-1H-indole-2-carboxamide hydrochloride
CID 24761056

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-hydroxyphenyl)methylideneamino]-4,6-dimethoxy-1H-indole-2-carboxamide?
The IUPAC name of N-[(E)-(2-hydroxyphenyl)methylideneamino]-4,6-dimethoxy-1H-indole-2-carboxamide (CID 135651729) is N-[(E)-(2-hydroxyphenyl)methylideneamino]-4,6-dimethoxy-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(E)-(2-hydroxyphenyl)methylideneamino]-4,6-dimethoxy-1H-indole-2-carboxamide?
The canonical SMILES for N-[(E)-(2-hydroxyphenyl)methylideneamino]-4,6-dimethoxy-1H-indole-2-carboxamide is COc1cc(OC)c2cc(C(=O)N/N=C/c3ccccc3O)[nH]c2c1.
What is the InChIKey of N-[(E)-(2-hydroxyphenyl)methylideneamino]-4,6-dimethoxy-1H-indole-2-carboxamide?
The InChIKey is GPMKKBNSGVJPFJ-VXLYETTFSA-N. The full InChI is InChI=1S/C18H17N3O4/c1-24-12-7-14-13(17(8-12)25-2)9-15(20-14)18(23)21-19-10-11-5-3-4-6-16(11)22/h3-10,20,22H,1-2H3,(H,21,23)/b19-10+.
What are the key properties of N-[(E)-(2-hydroxyphenyl)methylideneamino]-4,6-dimethoxy-1H-indole-2-carboxamide?
N-[(E)-(2-hydroxyphenyl)methylideneamino]-4,6-dimethoxy-1H-indole-2-carboxamide has a molecular weight of 339.35 g/mol, XLogP of 2.65, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-hydroxyphenyl)methylideneamino]-4,6-dimethoxy-1H-indole-2-carboxamide is sourced from PubChem (CID 135651729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).