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

C18H17N3O5 — CID 2026239

IUPACN-[(2,4-dihydroxyphenyl)methylideneamino]-4,5-dimethoxy-1H-indole-2-carboxamide
SMILESCOc1ccc2[nH]c(C(=O)NN=Cc3ccc(O)cc3O)cc2c1OC
InChIInChI=1S/C18H17N3O5/c1-25-16-6-5-13-12(17(16)26-2)8-14(20-13)18(24)21-19-9-10-3-4-11(22)7-15(10)23/h3-9,20,22-23H,1-2H3,(H,21,24)
InChIKeySZROZYKMIYUXTP-UHFFFAOYSA-N
MW355.35 g/mol
LogP2.36
Rot. Bonds5

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

N-[(2,4-dihydroxyphenyl)methylideneamino]-4,5-dimethoxy-1H-indole-2-carboxamide (PubChem CID 2026239) has the molecular formula C18H17N3O5 and a molecular weight of 355.35 g/mol. Its IUPAC name is N-[(2,4-dihydroxyphenyl)methylideneamino]-4,5-dimethoxy-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(2,4-dihydroxyphenyl)methylideneamino]-4,5-dimethoxy-1H-indole-2-carboxamide
PubChem CID2026239
Molecular FormulaC18H17N3O5
Molecular Weight355.35 g/mol
Exact Mass355.12
IUPAC NameN-[(2,4-dihydroxyphenyl)methylideneamino]-4,5-dimethoxy-1H-indole-2-carboxamide
SMILESCOc1ccc2[nH]c(C(=O)NN=Cc3ccc(O)cc3O)cc2c1OC
InChIInChI=1S/C18H17N3O5/c1-25-16-6-5-13-12(17(16)26-2)8-14(20-13)18(24)21-19-9-10-3-4-11(22)7-15(10)23/h3-9,20,22-23H,1-2H3,(H,21,24)
InChIKeySZROZYKMIYUXTP-UHFFFAOYSA-N
XLogP2.36
TPSA116.17 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.35
LogP ≤ 52.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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-[(E)-(2-hydroxyphenyl)methylideneamino]-4,5,6-trimethoxy-1H-indole-2-carboxamide
CID 135651324
N-[(2,4-dihydroxyphenyl)methylideneamino]-3-(2-methoxynaphthalen-1-yl)-1H-pyrazole-5-carboxamide
CID 1184957
N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-4,7-dimethoxy-1H-indole-2-carboxamide
CID 6879756
N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 136720676
N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-4-methoxybenzamide
CID 136778476
3-bromo-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-4-ethoxy-5-methoxybenzamide
CID 135811577
N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 135400326
3-(4-methylphenyl)-N-[(2,3,4-trimethoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 3960353
N-[(E)-(4-ethoxyphenyl)methylideneamino]-4,5,6-trimethoxy-1H-indole-2-carboxamide
CID 6878850
N,N'-bis[(E)-(2,4-dihydroxyphenyl)methylideneamino]oxamide
CID 135576680
N-[(E)-(4-ethoxy-2-hydroxyphenyl)methylideneamino]-3,4-dimethoxybenzamide
CID 135998435
3-(4-methoxyphenyl)-N-[(2,3,4-trimethoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 2047300

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dihydroxyphenyl)methylideneamino]-4,5-dimethoxy-1H-indole-2-carboxamide?
The IUPAC name of N-[(2,4-dihydroxyphenyl)methylideneamino]-4,5-dimethoxy-1H-indole-2-carboxamide (CID 2026239) is N-[(2,4-dihydroxyphenyl)methylideneamino]-4,5-dimethoxy-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(2,4-dihydroxyphenyl)methylideneamino]-4,5-dimethoxy-1H-indole-2-carboxamide?
The canonical SMILES for N-[(2,4-dihydroxyphenyl)methylideneamino]-4,5-dimethoxy-1H-indole-2-carboxamide is COc1ccc2[nH]c(C(=O)NN=Cc3ccc(O)cc3O)cc2c1OC.
What is the InChIKey of N-[(2,4-dihydroxyphenyl)methylideneamino]-4,5-dimethoxy-1H-indole-2-carboxamide?
The InChIKey is SZROZYKMIYUXTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O5/c1-25-16-6-5-13-12(17(16)26-2)8-14(20-13)18(24)21-19-9-10-3-4-11(22)7-15(10)23/h3-9,20,22-23H,1-2H3,(H,21,24).
What are the key properties of N-[(2,4-dihydroxyphenyl)methylideneamino]-4,5-dimethoxy-1H-indole-2-carboxamide?
N-[(2,4-dihydroxyphenyl)methylideneamino]-4,5-dimethoxy-1H-indole-2-carboxamide has a molecular weight of 355.35 g/mol, XLogP of 2.36, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dihydroxyphenyl)methylideneamino]-4,5-dimethoxy-1H-indole-2-carboxamide is sourced from PubChem (CID 2026239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).