4-(3-aminophenyl)-2-ethoxy-1H-indole-7-carboxamide

C17H17N3O2 — CID 174783811

IUPAC4-(3-aminophenyl)-2-ethoxy-1H-indole-7-carboxamide
SMILESCCOc1cc2c(-c3cccc(N)c3)ccc(C(N)=O)c2[nH]1
InChIInChI=1S/C17H17N3O2/c1-2-22-15-9-14-12(10-4-3-5-11(18)8-10)6-7-13(17(19)21)16(14)20-15/h3-9,20H,2,18H2,1H3,(H2,19,21)
InChIKeyVNZMXCXJFCTZDJ-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.91
Rot. Bonds4

About 4-(3-aminophenyl)-2-ethoxy-1H-indole-7-carboxamide

4-(3-aminophenyl)-2-ethoxy-1H-indole-7-carboxamide (PubChem CID 174783811) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 4-(3-aminophenyl)-2-ethoxy-1H-indole-7-carboxamide.

Molecular Properties

Compound Name4-(3-aminophenyl)-2-ethoxy-1H-indole-7-carboxamide
PubChem CID174783811
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name4-(3-aminophenyl)-2-ethoxy-1H-indole-7-carboxamide
SMILESCCOc1cc2c(-c3cccc(N)c3)ccc(C(N)=O)c2[nH]1
InChIInChI=1S/C17H17N3O2/c1-2-22-15-9-14-12(10-4-3-5-11(18)8-10)6-7-13(17(19)21)16(14)20-15/h3-9,20H,2,18H2,1H3,(H2,19,21)
InChIKeyVNZMXCXJFCTZDJ-UHFFFAOYSA-N
XLogP2.91
TPSA94.13 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(3-aminophenyl)-2-ethoxy-1H-indole-7-carboxamide?
The IUPAC name of 4-(3-aminophenyl)-2-ethoxy-1H-indole-7-carboxamide (CID 174783811) is 4-(3-aminophenyl)-2-ethoxy-1H-indole-7-carboxamide.
What is the SMILES notation for 4-(3-aminophenyl)-2-ethoxy-1H-indole-7-carboxamide?
The canonical SMILES for 4-(3-aminophenyl)-2-ethoxy-1H-indole-7-carboxamide is CCOc1cc2c(-c3cccc(N)c3)ccc(C(N)=O)c2[nH]1.
What is the InChIKey of 4-(3-aminophenyl)-2-ethoxy-1H-indole-7-carboxamide?
The InChIKey is VNZMXCXJFCTZDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-2-22-15-9-14-12(10-4-3-5-11(18)8-10)6-7-13(17(19)21)16(14)20-15/h3-9,20H,2,18H2,1H3,(H2,19,21).
What are the key properties of 4-(3-aminophenyl)-2-ethoxy-1H-indole-7-carboxamide?
4-(3-aminophenyl)-2-ethoxy-1H-indole-7-carboxamide has a molecular weight of 295.34 g/mol, XLogP of 2.91, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminophenyl)-2-ethoxy-1H-indole-7-carboxamide is sourced from PubChem (CID 174783811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).