N-[(2-hydroxy-7-methyl-1H-indol-3-yl)imino]-3,5-dimethoxybenzamide

C18H17N3O4 — CID 135582404

IUPACN-[(2-hydroxy-7-methyl-1H-indol-3-yl)imino]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)/N=N/c2c(O)[nH]c3c(C)cccc23)c1
InChIInChI=1S/C18H17N3O4/c1-10-5-4-6-14-15(10)19-18(23)16(14)20-21-17(22)11-7-12(24-2)9-13(8-11)25-3/h4-9,19,23H,1-3H3/b21-20+
InChIKeyHYLZZYRJFIPUGP-QZQOTICOSA-N
MW339.35 g/mol
LogP4.12
Rot. Bonds4

About N-[(2-hydroxy-7-methyl-1H-indol-3-yl)imino]-3,5-dimethoxybenzamide

N-[(2-hydroxy-7-methyl-1H-indol-3-yl)imino]-3,5-dimethoxybenzamide (PubChem CID 135582404) has the molecular formula C18H17N3O4 and a molecular weight of 339.35 g/mol. Its IUPAC name is N-[(2-hydroxy-7-methyl-1H-indol-3-yl)imino]-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[(2-hydroxy-7-methyl-1H-indol-3-yl)imino]-3,5-dimethoxybenzamide
PubChem CID135582404
Molecular FormulaC18H17N3O4
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC NameN-[(2-hydroxy-7-methyl-1H-indol-3-yl)imino]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)/N=N/c2c(O)[nH]c3c(C)cccc23)c1
InChIInChI=1S/C18H17N3O4/c1-10-5-4-6-14-15(10)19-18(23)16(14)20-21-17(22)11-7-12(24-2)9-13(8-11)25-3/h4-9,19,23H,1-3H3/b21-20+
InChIKeyHYLZZYRJFIPUGP-QZQOTICOSA-N
XLogP4.12
TPSA96.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

N-[(2-hydroxy-7-methyl-1H-indol-3-yl)imino]-2-(3-methoxyanilino)acetamide
CID 135725912
(2-hydroxy-7-methyl-1H-indol-3-yl)iminourea
CID 788841
N-[(2-hydroxy-7-methyl-1H-indol-3-yl)imino]-2-methylquinoline-3-carboxamide
CID 788839
2-(4-tert-butylphenoxy)-N-[(2-hydroxy-7-methyl-1H-indol-3-yl)imino]acetamide
CID 135551915
3-[(2,4-dimethylphenyl)diazenyl]-7-methyl-1H-indol-2-ol
CID 136867577
N-[(2-hydroxy-7-methyl-5-nitro-1H-indol-3-yl)imino]-4-methylbenzamide
CID 5197654
4-chloro-3-[(2-hydroxy-7-methyl-1H-indol-3-yl)diazenyl]benzoic acid
CID 135846209
N-[(2-hydroxy-1H-indol-3-yl)imino]-4-methylbenzamide
CID 747707
2-(2-benzylphenoxy)-N-[(2-hydroxy-7-methyl-1H-indol-3-yl)imino]acetamide
CID 135576133
N-[(2-hydroxy-1H-indol-3-yl)imino]-3-methylbenzamide
CID 749780
N-[(7-bromo-2-hydroxy-1H-indol-3-yl)imino]-4-chlorobenzamide
CID 1040030
N-[(2-hydroxy-5-methoxy-1H-indol-3-yl)imino]pyridine-4-carboxamide
CID 137172272

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxy-7-methyl-1H-indol-3-yl)imino]-3,5-dimethoxybenzamide?
The IUPAC name of N-[(2-hydroxy-7-methyl-1H-indol-3-yl)imino]-3,5-dimethoxybenzamide (CID 135582404) is N-[(2-hydroxy-7-methyl-1H-indol-3-yl)imino]-3,5-dimethoxybenzamide.
What is the SMILES notation for N-[(2-hydroxy-7-methyl-1H-indol-3-yl)imino]-3,5-dimethoxybenzamide?
The canonical SMILES for N-[(2-hydroxy-7-methyl-1H-indol-3-yl)imino]-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)/N=N/c2c(O)[nH]c3c(C)cccc23)c1.
What is the InChIKey of N-[(2-hydroxy-7-methyl-1H-indol-3-yl)imino]-3,5-dimethoxybenzamide?
The InChIKey is HYLZZYRJFIPUGP-QZQOTICOSA-N. The full InChI is InChI=1S/C18H17N3O4/c1-10-5-4-6-14-15(10)19-18(23)16(14)20-21-17(22)11-7-12(24-2)9-13(8-11)25-3/h4-9,19,23H,1-3H3/b21-20+.
What are the key properties of N-[(2-hydroxy-7-methyl-1H-indol-3-yl)imino]-3,5-dimethoxybenzamide?
N-[(2-hydroxy-7-methyl-1H-indol-3-yl)imino]-3,5-dimethoxybenzamide has a molecular weight of 339.35 g/mol, XLogP of 4.12, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxy-7-methyl-1H-indol-3-yl)imino]-3,5-dimethoxybenzamide is sourced from PubChem (CID 135582404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).