methyl 3-[[4-[(2-aminophenyl)carbamoyl]phenyl]iminomethyl]-2-hydroxy-1H-indole-5-carboxylate

C24H20N4O4 — CID 135911712

IUPACmethyl 3-[[4-[(2-aminophenyl)carbamoyl]phenyl]iminomethyl]-2-hydroxy-1H-indole-5-carboxylate
SMILESCOC(=O)c1ccc2[nH]c(O)c(/C=N/c3ccc(C(=O)Nc4ccccc4N)cc3)c2c1
InChIInChI=1S/C24H20N4O4/c1-32-24(31)15-8-11-20-17(12-15)18(23(30)27-20)13-26-16-9-6-14(7-10-16)22(29)28-21-5-3-2-4-19(21)25/h2-13,27,30H,25H2,1H3,(H,28,29)/b26-13+
InChIKeyDJWSGVKCFJGGMZ-LGJNPRDNSA-N
MW428.45 g/mol
LogP4.25
Rot. Bonds5

About methyl 3-[[4-[(2-aminophenyl)carbamoyl]phenyl]iminomethyl]-2-hydroxy-1H-indole-5-carboxylate

methyl 3-[[4-[(2-aminophenyl)carbamoyl]phenyl]iminomethyl]-2-hydroxy-1H-indole-5-carboxylate (PubChem CID 135911712) has the molecular formula C24H20N4O4 and a molecular weight of 428.45 g/mol. Its IUPAC name is methyl 3-[[4-[(2-aminophenyl)carbamoyl]phenyl]iminomethyl]-2-hydroxy-1H-indole-5-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[4-[(2-aminophenyl)carbamoyl]phenyl]iminomethyl]-2-hydroxy-1H-indole-5-carboxylate
PubChem CID135911712
Molecular FormulaC24H20N4O4
Molecular Weight428.45 g/mol
Exact Mass428.15
IUPAC Namemethyl 3-[[4-[(2-aminophenyl)carbamoyl]phenyl]iminomethyl]-2-hydroxy-1H-indole-5-carboxylate
SMILESCOC(=O)c1ccc2[nH]c(O)c(/C=N/c3ccc(C(=O)Nc4ccccc4N)cc3)c2c1
InChIInChI=1S/C24H20N4O4/c1-32-24(31)15-8-11-20-17(12-15)18(23(30)27-20)13-26-16-9-6-14(7-10-16)22(29)28-21-5-3-2-4-19(21)25/h2-13,27,30H,25H2,1H3,(H,28,29)/b26-13+
InChIKeyDJWSGVKCFJGGMZ-LGJNPRDNSA-N
XLogP4.25
TPSA129.80 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.45
LogP ≤ 54.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-[(2-hydroxy-6-methoxycarbonyl-1H-indol-3-yl)methylideneamino]benzoic acid
CID 135837755
methyl 2-hydroxy-3-[[4-(methylamino)phenyl]iminomethyl]-1H-indole-6-carboxylate
CID 138462659
N-(2-aminophenyl)-4-[[1-(2-hydroxy-1H-indol-3-yl)-2-methoxyethylidene]amino]benzamide
CID 135911722
methyl 2-[(5-chloro-2-hydroxy-1H-indol-3-yl)methylideneamino]benzoate
CID 136996242
5-chloro-3-[(4-methoxyphenyl)iminomethyl]-1H-indol-2-ol
CID 135481823
N-(2-aminophenyl)-4-hydroxybenzamide;ethane
CID 145225833
N-[3-[2-hydroxy-3-[(4-morpholin-4-ylphenyl)iminomethyl]-1H-indole-5-carbonyl]phenyl]acetamide
CID 135441376
5-chloro-3-[(3,5-dimethoxyphenyl)iminomethyl]-1H-indol-2-ol
CID 135605392
4-[(2-hydroxy-5-methoxy-1H-indol-3-yl)methylideneamino]benzonitrile
CID 136996433
N-[4-[2-hydroxy-3-[[4-(4-methylpiperazin-1-yl)phenyl]iminomethyl]-1H-indole-5-carbonyl]phenyl]thiophene-2-carboxamide
CID 140548059
4-[(2-aminophenyl)carbamoyl]benzoic acid
CID 61408098
2-tert-butyl-N-[3-[2-hydroxy-3-[(3-hydroxy-4-methoxyphenyl)iminomethyl]-1H-indole-5-carbonyl]phenyl]-5-methylpyrazole-3-carboxamide
CID 158022388

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[4-[(2-aminophenyl)carbamoyl]phenyl]iminomethyl]-2-hydroxy-1H-indole-5-carboxylate?
The IUPAC name of methyl 3-[[4-[(2-aminophenyl)carbamoyl]phenyl]iminomethyl]-2-hydroxy-1H-indole-5-carboxylate (CID 135911712) is methyl 3-[[4-[(2-aminophenyl)carbamoyl]phenyl]iminomethyl]-2-hydroxy-1H-indole-5-carboxylate.
What is the SMILES notation for methyl 3-[[4-[(2-aminophenyl)carbamoyl]phenyl]iminomethyl]-2-hydroxy-1H-indole-5-carboxylate?
The canonical SMILES for methyl 3-[[4-[(2-aminophenyl)carbamoyl]phenyl]iminomethyl]-2-hydroxy-1H-indole-5-carboxylate is COC(=O)c1ccc2[nH]c(O)c(/C=N/c3ccc(C(=O)Nc4ccccc4N)cc3)c2c1.
What is the InChIKey of methyl 3-[[4-[(2-aminophenyl)carbamoyl]phenyl]iminomethyl]-2-hydroxy-1H-indole-5-carboxylate?
The InChIKey is DJWSGVKCFJGGMZ-LGJNPRDNSA-N. The full InChI is InChI=1S/C24H20N4O4/c1-32-24(31)15-8-11-20-17(12-15)18(23(30)27-20)13-26-16-9-6-14(7-10-16)22(29)28-21-5-3-2-4-19(21)25/h2-13,27,30H,25H2,1H3,(H,28,29)/b26-13+.
What are the key properties of methyl 3-[[4-[(2-aminophenyl)carbamoyl]phenyl]iminomethyl]-2-hydroxy-1H-indole-5-carboxylate?
methyl 3-[[4-[(2-aminophenyl)carbamoyl]phenyl]iminomethyl]-2-hydroxy-1H-indole-5-carboxylate has a molecular weight of 428.45 g/mol, XLogP of 4.25, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[4-[(2-aminophenyl)carbamoyl]phenyl]iminomethyl]-2-hydroxy-1H-indole-5-carboxylate is sourced from PubChem (CID 135911712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).