methyl 3-(C,N-diphenylcarbonimidoyl)-2-hydroxy-1H-indole-6-carboxylate

C23H18N2O3 — CID 135837808

IUPACmethyl 3-(C,N-diphenylcarbonimidoyl)-2-hydroxy-1H-indole-6-carboxylate
SMILESCOC(=O)c1ccc2c(/C(=N/c3ccccc3)c3ccccc3)c(O)[nH]c2c1
InChIInChI=1S/C23H18N2O3/c1-28-23(27)16-12-13-18-19(14-16)25-22(26)20(18)21(15-8-4-2-5-9-15)24-17-10-6-3-7-11-17/h2-14,25-26H,1H3/b24-21+
InChIKeyNDXXJERYEUGUNT-DARPEHSRSA-N
MW370.41 g/mol
LogP4.83
Rot. Bonds4

About methyl 3-(C,N-diphenylcarbonimidoyl)-2-hydroxy-1H-indole-6-carboxylate

methyl 3-(C,N-diphenylcarbonimidoyl)-2-hydroxy-1H-indole-6-carboxylate (PubChem CID 135837808) has the molecular formula C23H18N2O3 and a molecular weight of 370.41 g/mol. Its IUPAC name is methyl 3-(C,N-diphenylcarbonimidoyl)-2-hydroxy-1H-indole-6-carboxylate.

Molecular Properties

Compound Namemethyl 3-(C,N-diphenylcarbonimidoyl)-2-hydroxy-1H-indole-6-carboxylate
PubChem CID135837808
Molecular FormulaC23H18N2O3
Molecular Weight370.41 g/mol
Exact Mass370.13
IUPAC Namemethyl 3-(C,N-diphenylcarbonimidoyl)-2-hydroxy-1H-indole-6-carboxylate
SMILESCOC(=O)c1ccc2c(/C(=N/c3ccccc3)c3ccccc3)c(O)[nH]c2c1
InChIInChI=1S/C23H18N2O3/c1-28-23(27)16-12-13-18-19(14-16)25-22(26)20(18)21(15-8-4-2-5-9-15)24-17-10-6-3-7-11-17/h2-14,25-26H,1H3/b24-21+
InChIKeyNDXXJERYEUGUNT-DARPEHSRSA-N
XLogP4.83
TPSA74.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(C,N-diphenylcarbonimidoyl)-2-hydroxy-1H-indole-6-carboxylate?
The IUPAC name of methyl 3-(C,N-diphenylcarbonimidoyl)-2-hydroxy-1H-indole-6-carboxylate (CID 135837808) is methyl 3-(C,N-diphenylcarbonimidoyl)-2-hydroxy-1H-indole-6-carboxylate.
What is the SMILES notation for methyl 3-(C,N-diphenylcarbonimidoyl)-2-hydroxy-1H-indole-6-carboxylate?
The canonical SMILES for methyl 3-(C,N-diphenylcarbonimidoyl)-2-hydroxy-1H-indole-6-carboxylate is COC(=O)c1ccc2c(/C(=N/c3ccccc3)c3ccccc3)c(O)[nH]c2c1.
What is the InChIKey of methyl 3-(C,N-diphenylcarbonimidoyl)-2-hydroxy-1H-indole-6-carboxylate?
The InChIKey is NDXXJERYEUGUNT-DARPEHSRSA-N. The full InChI is InChI=1S/C23H18N2O3/c1-28-23(27)16-12-13-18-19(14-16)25-22(26)20(18)21(15-8-4-2-5-9-15)24-17-10-6-3-7-11-17/h2-14,25-26H,1H3/b24-21+.
What are the key properties of methyl 3-(C,N-diphenylcarbonimidoyl)-2-hydroxy-1H-indole-6-carboxylate?
methyl 3-(C,N-diphenylcarbonimidoyl)-2-hydroxy-1H-indole-6-carboxylate has a molecular weight of 370.41 g/mol, XLogP of 4.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(C,N-diphenylcarbonimidoyl)-2-hydroxy-1H-indole-6-carboxylate is sourced from PubChem (CID 135837808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).