2-[4-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]-1H-indole-7-carboxamide

C23H28N4O2 — CID 22014911

IUPAC2-[4-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]-1H-indole-7-carboxamide
SMILESCCN1CCN(CCOc2ccc(-c3cc4cccc(C(N)=O)c4[nH]3)cc2)CC1
InChIInChI=1S/C23H28N4O2/c1-2-26-10-12-27(13-11-26)14-15-29-19-8-6-17(7-9-19)21-16-18-4-3-5-20(23(24)28)22(18)25-21/h3-9,16,25H,2,10-15H2,1H3,(H2,24,28)
InChIKeyRSVGHYFQJYKLMP-UHFFFAOYSA-N
MW392.50 g/mol
LogP2.95
Rot. Bonds7

About 2-[4-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]-1H-indole-7-carboxamide

2-[4-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]-1H-indole-7-carboxamide (PubChem CID 22014911) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is 2-[4-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]-1H-indole-7-carboxamide.

Molecular Properties

Compound Name2-[4-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]-1H-indole-7-carboxamide
PubChem CID22014911
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC Name2-[4-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]-1H-indole-7-carboxamide
SMILESCCN1CCN(CCOc2ccc(-c3cc4cccc(C(N)=O)c4[nH]3)cc2)CC1
InChIInChI=1S/C23H28N4O2/c1-2-26-10-12-27(13-11-26)14-15-29-19-8-6-17(7-9-19)21-16-18-4-3-5-20(23(24)28)22(18)25-21/h3-9,16,25H,2,10-15H2,1H3,(H2,24,28)
InChIKeyRSVGHYFQJYKLMP-UHFFFAOYSA-N
XLogP2.95
TPSA74.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]-1H-indole-7-carboxamide?
The IUPAC name of 2-[4-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]-1H-indole-7-carboxamide (CID 22014911) is 2-[4-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]-1H-indole-7-carboxamide.
What is the SMILES notation for 2-[4-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]-1H-indole-7-carboxamide?
The canonical SMILES for 2-[4-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]-1H-indole-7-carboxamide is CCN1CCN(CCOc2ccc(-c3cc4cccc(C(N)=O)c4[nH]3)cc2)CC1.
What is the InChIKey of 2-[4-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]-1H-indole-7-carboxamide?
The InChIKey is RSVGHYFQJYKLMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-2-26-10-12-27(13-11-26)14-15-29-19-8-6-17(7-9-19)21-16-18-4-3-5-20(23(24)28)22(18)25-21/h3-9,16,25H,2,10-15H2,1H3,(H2,24,28).
What are the key properties of 2-[4-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]-1H-indole-7-carboxamide?
2-[4-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]-1H-indole-7-carboxamide has a molecular weight of 392.50 g/mol, XLogP of 2.95, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]-1H-indole-7-carboxamide is sourced from PubChem (CID 22014911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).