N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-4,6-dimethoxy-1H-indole-2-carboxamide

C19H19N3O5 — CID 135651354

IUPACN-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-4,6-dimethoxy-1H-indole-2-carboxamide
SMILESCOc1cc(OC)c2cc(C(=O)N/N=C/c3cccc(OC)c3O)[nH]c2c1
InChIInChI=1S/C19H19N3O5/c1-25-12-7-14-13(17(8-12)27-3)9-15(21-14)19(24)22-20-10-11-5-4-6-16(26-2)18(11)23/h4-10,21,23H,1-3H3,(H,22,24)/b20-10+
InChIKeyQJWYEFHYQOOGHV-KEBDBYFISA-N
MW369.38 g/mol
LogP2.66
Rot. Bonds6

About N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-4,6-dimethoxy-1H-indole-2-carboxamide

N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-4,6-dimethoxy-1H-indole-2-carboxamide (PubChem CID 135651354) has the molecular formula C19H19N3O5 and a molecular weight of 369.38 g/mol. Its IUPAC name is N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-4,6-dimethoxy-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-4,6-dimethoxy-1H-indole-2-carboxamide
PubChem CID135651354
Molecular FormulaC19H19N3O5
Molecular Weight369.38 g/mol
Exact Mass369.13
IUPAC NameN-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-4,6-dimethoxy-1H-indole-2-carboxamide
SMILESCOc1cc(OC)c2cc(C(=O)N/N=C/c3cccc(OC)c3O)[nH]c2c1
InChIInChI=1S/C19H19N3O5/c1-25-12-7-14-13(17(8-12)27-3)9-15(21-14)19(24)22-20-10-11-5-4-6-16(26-2)18(11)23/h4-10,21,23H,1-3H3,(H,22,24)/b20-10+
InChIKeyQJWYEFHYQOOGHV-KEBDBYFISA-N
XLogP2.66
TPSA105.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

(4-hydroxy-3,5-dimethoxyphenyl)(6-methoxy-1H-indol-3-yl)methanone
CID 11645570
5,6-dimethoxy-N-[(E)-(4-methoxyphenyl)methylideneamino]-1H-indole-2-carboxamide
CID 6889967
N-[(E)-(2-chlorophenyl)methylideneamino]-5,6-dimethoxy-1H-indole-2-carboxamide
CID 6890306
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
(4-Hydroxy-5-methoxy-2-methylindol-1-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 24906249
4,5,6-trimethoxy-N-(2-phenylethyl)-1H-indole-2-carboxamide
CID 4870182
N-benzyl-N-ethyl-5,6-dimethoxy-1H-indole-2-carboxamide
CID 4899187
N-benzyl-5,6-dimethoxy-N-methyl-1H-indole-2-carboxamide
CID 4904384
5,6-dimethoxy-N-(2-phenylethyl)-1H-indole-2-carboxamide
CID 4909132
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

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-4,6-dimethoxy-1H-indole-2-carboxamide?
The IUPAC name of N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-4,6-dimethoxy-1H-indole-2-carboxamide (CID 135651354) is N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-4,6-dimethoxy-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-4,6-dimethoxy-1H-indole-2-carboxamide?
The canonical SMILES for N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-4,6-dimethoxy-1H-indole-2-carboxamide is COc1cc(OC)c2cc(C(=O)N/N=C/c3cccc(OC)c3O)[nH]c2c1.
What is the InChIKey of N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-4,6-dimethoxy-1H-indole-2-carboxamide?
The InChIKey is QJWYEFHYQOOGHV-KEBDBYFISA-N. The full InChI is InChI=1S/C19H19N3O5/c1-25-12-7-14-13(17(8-12)27-3)9-15(21-14)19(24)22-20-10-11-5-4-6-16(26-2)18(11)23/h4-10,21,23H,1-3H3,(H,22,24)/b20-10+.
What are the key properties of N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-4,6-dimethoxy-1H-indole-2-carboxamide?
N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-4,6-dimethoxy-1H-indole-2-carboxamide has a molecular weight of 369.38 g/mol, XLogP of 2.66, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-4,6-dimethoxy-1H-indole-2-carboxamide is sourced from PubChem (CID 135651354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).