N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-6-methoxy-1H-indole-2-carboxamide

C18H17N3O4 — CID 136792678

IUPACN-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-6-methoxy-1H-indole-2-carboxamide
SMILESCOc1ccc2cc(C(=O)N/N=C\c3cccc(OC)c3O)[nH]c2c1
InChIInChI=1S/C18H17N3O4/c1-24-13-7-6-11-8-15(20-14(11)9-13)18(23)21-19-10-12-4-3-5-16(25-2)17(12)22/h3-10,20,22H,1-2H3,(H,21,23)/b19-10-
InChIKeyQLZAVLPOTNZKBI-GRSHGNNSSA-N
MW339.35 g/mol
LogP2.65
Rot. Bonds5

About N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-6-methoxy-1H-indole-2-carboxamide

N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-6-methoxy-1H-indole-2-carboxamide (PubChem CID 136792678) has the molecular formula C18H17N3O4 and a molecular weight of 339.35 g/mol. Its IUPAC name is N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-6-methoxy-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-6-methoxy-1H-indole-2-carboxamide
PubChem CID136792678
Molecular FormulaC18H17N3O4
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC NameN-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-6-methoxy-1H-indole-2-carboxamide
SMILESCOc1ccc2cc(C(=O)N/N=C\c3cccc(OC)c3O)[nH]c2c1
InChIInChI=1S/C18H17N3O4/c1-24-13-7-6-11-8-15(20-14(11)9-13)18(23)21-19-10-12-4-3-5-16(25-2)17(12)22/h3-10,20,22H,1-2H3,(H,21,23)/b19-10-
InChIKeyQLZAVLPOTNZKBI-GRSHGNNSSA-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-ethoxy-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-1H-indole-2-carboxamide
CID 136792738
N-[(E)-(4-ethoxyphenyl)methylideneamino]-6-methoxy-1H-indole-2-carboxamide
CID 6885107
N-[(2-fluorophenyl)methylideneamino]-5-methoxy-1H-indole-2-carboxamide
CID 156600169
N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-1H-indole-2-carboxamide
CID 137014970
2-hydroxy-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-3-methoxybenzamide
CID 136706071
N-[(2-chlorophenyl)methylideneamino]-5,6-dimethoxy-1H-indole-2-carboxamide
CID 2018531
N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 136766974
N'-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-N-(3-methoxyphenyl)oxamide
CID 136704523
N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-3-methoxybenzamide
CID 6026549
[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]urea
CID 135666337
N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(4-methoxyanilino)propanamide
CID 5055270
N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-4,7-dimethoxy-1H-indole-2-carboxamide
CID 6879756

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-6-methoxy-1H-indole-2-carboxamide?
The IUPAC name of N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-6-methoxy-1H-indole-2-carboxamide (CID 136792678) is N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-6-methoxy-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-6-methoxy-1H-indole-2-carboxamide?
The canonical SMILES for N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-6-methoxy-1H-indole-2-carboxamide is COc1ccc2cc(C(=O)N/N=C\c3cccc(OC)c3O)[nH]c2c1.
What is the InChIKey of N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-6-methoxy-1H-indole-2-carboxamide?
The InChIKey is QLZAVLPOTNZKBI-GRSHGNNSSA-N. The full InChI is InChI=1S/C18H17N3O4/c1-24-13-7-6-11-8-15(20-14(11)9-13)18(23)21-19-10-12-4-3-5-16(25-2)17(12)22/h3-10,20,22H,1-2H3,(H,21,23)/b19-10-.
What are the key properties of N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-6-methoxy-1H-indole-2-carboxamide?
N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-6-methoxy-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-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-6-methoxy-1H-indole-2-carboxamide is sourced from PubChem (CID 136792678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).