3-hydroxy-4-[(Z)-[(5-methoxy-1-methylindole-2-carbonyl)hydrazinylidene]methyl]naphthalene-2-carboxylic acid

C23H19N3O5 — CID 136919380

IUPAC3-hydroxy-4-[(Z)-[(5-methoxy-1-methylindole-2-carbonyl)hydrazinylidene]methyl]naphthalene-2-carboxylic acid
SMILESCOc1ccc2c(c1)cc(C(=O)N/N=C\c1c(O)c(C(=O)O)cc3ccccc13)n2C
InChIInChI=1S/C23H19N3O5/c1-26-19-8-7-15(31-2)9-14(19)11-20(26)22(28)25-24-12-18-16-6-4-3-5-13(16)10-17(21(18)27)23(29)30/h3-12,27H,1-2H3,(H,25,28)(H,29,30)/b24-12-
InChIKeyGBLPGGPIXKBWGV-MSXFZWOLSA-N
MW417.42 g/mol
LogP3.51
Rot. Bonds5

About 3-hydroxy-4-[(Z)-[(5-methoxy-1-methylindole-2-carbonyl)hydrazinylidene]methyl]naphthalene-2-carboxylic acid

3-hydroxy-4-[(Z)-[(5-methoxy-1-methylindole-2-carbonyl)hydrazinylidene]methyl]naphthalene-2-carboxylic acid (PubChem CID 136919380) has the molecular formula C23H19N3O5 and a molecular weight of 417.42 g/mol. Its IUPAC name is 3-hydroxy-4-[(Z)-[(5-methoxy-1-methylindole-2-carbonyl)hydrazinylidene]methyl]naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name3-hydroxy-4-[(Z)-[(5-methoxy-1-methylindole-2-carbonyl)hydrazinylidene]methyl]naphthalene-2-carboxylic acid
PubChem CID136919380
Molecular FormulaC23H19N3O5
Molecular Weight417.42 g/mol
Exact Mass417.13
IUPAC Name3-hydroxy-4-[(Z)-[(5-methoxy-1-methylindole-2-carbonyl)hydrazinylidene]methyl]naphthalene-2-carboxylic acid
SMILESCOc1ccc2c(c1)cc(C(=O)N/N=C\c1c(O)c(C(=O)O)cc3ccccc13)n2C
InChIInChI=1S/C23H19N3O5/c1-26-19-8-7-15(31-2)9-14(19)11-20(26)22(28)25-24-12-18-16-6-4-3-5-13(16)10-17(21(18)27)23(29)30/h3-12,27H,1-2H3,(H,25,28)(H,29,30)/b24-12-
InChIKeyGBLPGGPIXKBWGV-MSXFZWOLSA-N
XLogP3.51
TPSA113.15 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.42
LogP ≤ 53.51
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

5-methoxy-1-methyl-N-phenylindole-2-carboxamide
CID 10707870
N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-5-methoxy-1-methylindole-2-carboxamide
CID 135842066
N-[(E)-(5-bromo-2,3-dimethoxyphenyl)methylideneamino]-1-methylindole-2-carboxamide
CID 110526746
1-methyl-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]indole-2-carboxamide
CID 110526774
N-[(E)-(3,5-dimethoxy-4-propoxyphenyl)methylideneamino]-1-methylindole-2-carboxamide
CID 110526723
N-(3-acetamidophenyl)-5-methoxy-1-methylindole-2-carboxamide
CID 110861255
N-[(Z)-(2-ethoxynaphthalen-1-yl)methylideneamino]-2-hydroxy-4-methoxybenzamide
CID 126397757
(2S)-2-[(5-methoxy-1-methylindole-2-carbonyl)amino]-3-methylbutanoate
CID 7070170
1-hydroxy-N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]naphthalene-2-carboxamide
CID 135959919
N-[(E)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-1-methylindole-2-carboxamide
CID 110526735
N-[(E)-(3-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]-1-methylindole-2-carboxamide
CID 110526834
N-[(E)-(3-chloro-5-ethoxy-4-methoxyphenyl)methylideneamino]-1-methylindole-2-carboxamide
CID 110526800

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-[(Z)-[(5-methoxy-1-methylindole-2-carbonyl)hydrazinylidene]methyl]naphthalene-2-carboxylic acid?
The IUPAC name of 3-hydroxy-4-[(Z)-[(5-methoxy-1-methylindole-2-carbonyl)hydrazinylidene]methyl]naphthalene-2-carboxylic acid (CID 136919380) is 3-hydroxy-4-[(Z)-[(5-methoxy-1-methylindole-2-carbonyl)hydrazinylidene]methyl]naphthalene-2-carboxylic acid.
What is the SMILES notation for 3-hydroxy-4-[(Z)-[(5-methoxy-1-methylindole-2-carbonyl)hydrazinylidene]methyl]naphthalene-2-carboxylic acid?
The canonical SMILES for 3-hydroxy-4-[(Z)-[(5-methoxy-1-methylindole-2-carbonyl)hydrazinylidene]methyl]naphthalene-2-carboxylic acid is COc1ccc2c(c1)cc(C(=O)N/N=C\c1c(O)c(C(=O)O)cc3ccccc13)n2C.
What is the InChIKey of 3-hydroxy-4-[(Z)-[(5-methoxy-1-methylindole-2-carbonyl)hydrazinylidene]methyl]naphthalene-2-carboxylic acid?
The InChIKey is GBLPGGPIXKBWGV-MSXFZWOLSA-N. The full InChI is InChI=1S/C23H19N3O5/c1-26-19-8-7-15(31-2)9-14(19)11-20(26)22(28)25-24-12-18-16-6-4-3-5-13(16)10-17(21(18)27)23(29)30/h3-12,27H,1-2H3,(H,25,28)(H,29,30)/b24-12-.
What are the key properties of 3-hydroxy-4-[(Z)-[(5-methoxy-1-methylindole-2-carbonyl)hydrazinylidene]methyl]naphthalene-2-carboxylic acid?
3-hydroxy-4-[(Z)-[(5-methoxy-1-methylindole-2-carbonyl)hydrazinylidene]methyl]naphthalene-2-carboxylic acid has a molecular weight of 417.42 g/mol, XLogP of 3.51, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-[(Z)-[(5-methoxy-1-methylindole-2-carbonyl)hydrazinylidene]methyl]naphthalene-2-carboxylic acid is sourced from PubChem (CID 136919380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).