4-[2-hydroxy-3-[(E)-[(4-methylbenzoyl)hydrazinylidene]methyl]indol-1-yl]benzoic acid

C24H19N3O4 — CID 135796826

IUPAC4-[2-hydroxy-3-[(E)-[(4-methylbenzoyl)hydrazinylidene]methyl]indol-1-yl]benzoic acid
SMILESCc1ccc(C(=O)N/N=C/c2c(O)n(-c3ccc(C(=O)O)cc3)c3ccccc23)cc1
InChIInChI=1S/C24H19N3O4/c1-15-6-8-16(9-7-15)22(28)26-25-14-20-19-4-2-3-5-21(19)27(23(20)29)18-12-10-17(11-13-18)24(30)31/h2-14,29H,1H3,(H,26,28)(H,30,31)/b25-14+
InChIKeyWWQRRDORXDWONE-AFUMVMLFSA-N
MW413.43 g/mol
LogP4.11
Rot. Bonds5

About 4-[2-hydroxy-3-[(E)-[(4-methylbenzoyl)hydrazinylidene]methyl]indol-1-yl]benzoic acid

4-[2-hydroxy-3-[(E)-[(4-methylbenzoyl)hydrazinylidene]methyl]indol-1-yl]benzoic acid (PubChem CID 135796826) has the molecular formula C24H19N3O4 and a molecular weight of 413.43 g/mol. Its IUPAC name is 4-[2-hydroxy-3-[(E)-[(4-methylbenzoyl)hydrazinylidene]methyl]indol-1-yl]benzoic acid.

Molecular Properties

Compound Name4-[2-hydroxy-3-[(E)-[(4-methylbenzoyl)hydrazinylidene]methyl]indol-1-yl]benzoic acid
PubChem CID135796826
Molecular FormulaC24H19N3O4
Molecular Weight413.43 g/mol
Exact Mass413.14
IUPAC Name4-[2-hydroxy-3-[(E)-[(4-methylbenzoyl)hydrazinylidene]methyl]indol-1-yl]benzoic acid
SMILESCc1ccc(C(=O)N/N=C/c2c(O)n(-c3ccc(C(=O)O)cc3)c3ccccc23)cc1
InChIInChI=1S/C24H19N3O4/c1-15-6-8-16(9-7-15)22(28)26-25-14-20-19-4-2-3-5-21(19)27(23(20)29)18-12-10-17(11-13-18)24(30)31/h2-14,29H,1H3,(H,26,28)(H,30,31)/b25-14+
InChIKeyWWQRRDORXDWONE-AFUMVMLFSA-N
XLogP4.11
TPSA103.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.43
LogP ≤ 54.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[3-[[(3,4-dimethylbenzoyl)hydrazinylidene]methyl]-2-hydroxy-6-(trifluoromethyl)indol-1-yl]benzoic acid
CID 152773438
N,N'-bis[(E)-[3-hydroxy-2-(4-methylphenyl)-1-oxoisoquinolin-4-yl]methylideneamino]hexanediamide
CID 135555649
4-chloro-N-[(E)-(1,2-dimethylindol-3-yl)methylideneamino]benzamide
CID 21379721
4-(2,5-dimethylpyrrol-1-yl)-N-[(Z)-(4-methylphenyl)methylideneamino]benzamide
CID 6030530
N-[(E)-(1-benzyl-2-methylindol-3-yl)methylideneamino]-4-hydroxybenzamide
CID 46501991
N-[(1-benzyl-2-methylindol-3-yl)methylideneamino]-4-hydroxybenzamide
CID 4615384
4-phenyl-N-[(Z)-(2,4,6-trimethylphenyl)methylideneamino]benzamide
CID 6132987
N-[(3,6-dichloro-2-hydroxyphenyl)methylideneamino]-4-methylbenzamide
CID 137151231
2-[(Z)-[(4-methylbenzoyl)hydrazinylidene]methyl]benzoic acid
CID 5418070
4-(2,5-dimethylpyrrol-1-yl)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]benzamide
CID 136782182
4-(2,5-dimethylpyrrol-1-yl)-N-[(E)-(5-methyl-1-phenylpyrrol-2-yl)methylideneamino]benzamide
CID 50856364
N-[(E)-(1,2-dimethylindol-3-yl)methylideneamino]-4-ethoxybenzamide
CID 17246252

Frequently Asked Questions

What is the IUPAC name of 4-[2-hydroxy-3-[(E)-[(4-methylbenzoyl)hydrazinylidene]methyl]indol-1-yl]benzoic acid?
The IUPAC name of 4-[2-hydroxy-3-[(E)-[(4-methylbenzoyl)hydrazinylidene]methyl]indol-1-yl]benzoic acid (CID 135796826) is 4-[2-hydroxy-3-[(E)-[(4-methylbenzoyl)hydrazinylidene]methyl]indol-1-yl]benzoic acid.
What is the SMILES notation for 4-[2-hydroxy-3-[(E)-[(4-methylbenzoyl)hydrazinylidene]methyl]indol-1-yl]benzoic acid?
The canonical SMILES for 4-[2-hydroxy-3-[(E)-[(4-methylbenzoyl)hydrazinylidene]methyl]indol-1-yl]benzoic acid is Cc1ccc(C(=O)N/N=C/c2c(O)n(-c3ccc(C(=O)O)cc3)c3ccccc23)cc1.
What is the InChIKey of 4-[2-hydroxy-3-[(E)-[(4-methylbenzoyl)hydrazinylidene]methyl]indol-1-yl]benzoic acid?
The InChIKey is WWQRRDORXDWONE-AFUMVMLFSA-N. The full InChI is InChI=1S/C24H19N3O4/c1-15-6-8-16(9-7-15)22(28)26-25-14-20-19-4-2-3-5-21(19)27(23(20)29)18-12-10-17(11-13-18)24(30)31/h2-14,29H,1H3,(H,26,28)(H,30,31)/b25-14+.
What are the key properties of 4-[2-hydroxy-3-[(E)-[(4-methylbenzoyl)hydrazinylidene]methyl]indol-1-yl]benzoic acid?
4-[2-hydroxy-3-[(E)-[(4-methylbenzoyl)hydrazinylidene]methyl]indol-1-yl]benzoic acid has a molecular weight of 413.43 g/mol, XLogP of 4.11, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-hydroxy-3-[(E)-[(4-methylbenzoyl)hydrazinylidene]methyl]indol-1-yl]benzoic acid is sourced from PubChem (CID 135796826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).