methyl 2-(4-aminophenyl)-1H-indole-5-carboxylate

C16H14N2O2 — CID 69224754

IUPACmethyl 2-(4-aminophenyl)-1H-indole-5-carboxylate
SMILESCOC(=O)c1ccc2[nH]c(-c3ccc(N)cc3)cc2c1
InChIInChI=1S/C16H14N2O2/c1-20-16(19)11-4-7-14-12(8-11)9-15(18-14)10-2-5-13(17)6-3-10/h2-9,18H,17H2,1H3
InChIKeyYAIBKHXWZCWTEN-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.20
Rot. Bonds2

About methyl 2-(4-aminophenyl)-1H-indole-5-carboxylate

methyl 2-(4-aminophenyl)-1H-indole-5-carboxylate (PubChem CID 69224754) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is methyl 2-(4-aminophenyl)-1H-indole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-(4-aminophenyl)-1H-indole-5-carboxylate
PubChem CID69224754
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Namemethyl 2-(4-aminophenyl)-1H-indole-5-carboxylate
SMILESCOC(=O)c1ccc2[nH]c(-c3ccc(N)cc3)cc2c1
InChIInChI=1S/C16H14N2O2/c1-20-16(19)11-4-7-14-12(8-11)9-15(18-14)10-2-5-13(17)6-3-10/h2-9,18H,17H2,1H3
InChIKeyYAIBKHXWZCWTEN-UHFFFAOYSA-N
XLogP3.20
TPSA68.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Carmoxirole
CID 57364
methyl 1H-indole-5-carboxylate
CID 2737635
5-methyl-1H-indole-2-carboxylic acid
CID 259188
2-(Ethoxycarbonyl)-1H-indole-5-carboxylic acid
CID 18071365
1H-Indole-5-Carboxylic Acid
CID 74280
Methyl Carbazole-3-Carboxylate
CID 504069
methyl 6-methoxy-9H-carbazole-3-carboxylate
CID 14804151
Indocate
CID 65776
Caulerpin
CID 5326018
Methyl 1-methyl-9H-pyrido(3,4-b)indole-3-carboxylate
CID 5291723
2,3,4,9-tetrahydro-1H-carbazole-6-carboxylic acid
CID 729801
3-methyl-2,3,4,9-tetrahydro-1H-carbazole-6-carboxylic acid
CID 2791194

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-aminophenyl)-1H-indole-5-carboxylate?
The IUPAC name of methyl 2-(4-aminophenyl)-1H-indole-5-carboxylate (CID 69224754) is methyl 2-(4-aminophenyl)-1H-indole-5-carboxylate.
What is the SMILES notation for methyl 2-(4-aminophenyl)-1H-indole-5-carboxylate?
The canonical SMILES for methyl 2-(4-aminophenyl)-1H-indole-5-carboxylate is COC(=O)c1ccc2[nH]c(-c3ccc(N)cc3)cc2c1.
What is the InChIKey of methyl 2-(4-aminophenyl)-1H-indole-5-carboxylate?
The InChIKey is YAIBKHXWZCWTEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-20-16(19)11-4-7-14-12(8-11)9-15(18-14)10-2-5-13(17)6-3-10/h2-9,18H,17H2,1H3.
What are the key properties of methyl 2-(4-aminophenyl)-1H-indole-5-carboxylate?
methyl 2-(4-aminophenyl)-1H-indole-5-carboxylate has a molecular weight of 266.30 g/mol, XLogP of 3.20, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-aminophenyl)-1H-indole-5-carboxylate is sourced from PubChem (CID 69224754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).