5,6-dichloro-2-[4-(4-ethylpiperazin-1-yl)phenyl]-3H-indole

C20H21Cl2N3 — CID 158550826

IUPAC5,6-dichloro-2-[4-(4-ethylpiperazin-1-yl)phenyl]-3H-indole
SMILESCCN1CCN(c2ccc(C3=Nc4cc(Cl)c(Cl)cc4C3)cc2)CC1
InChIInChI=1S/C20H21Cl2N3/c1-2-24-7-9-25(10-8-24)16-5-3-14(4-6-16)19-12-15-11-17(21)18(22)13-20(15)23-19/h3-6,11,13H,2,7-10,12H2,1H3
InChIKeyPUBAQEYLQCARAD-UHFFFAOYSA-N
MW374.32 g/mol
LogP4.81
Rot. Bonds3

About 5,6-dichloro-2-[4-(4-ethylpiperazin-1-yl)phenyl]-3H-indole

5,6-dichloro-2-[4-(4-ethylpiperazin-1-yl)phenyl]-3H-indole (PubChem CID 158550826) has the molecular formula C20H21Cl2N3 and a molecular weight of 374.32 g/mol. Its IUPAC name is 5,6-dichloro-2-[4-(4-ethylpiperazin-1-yl)phenyl]-3H-indole.

Molecular Properties

Compound Name5,6-dichloro-2-[4-(4-ethylpiperazin-1-yl)phenyl]-3H-indole
PubChem CID158550826
Molecular FormulaC20H21Cl2N3
Molecular Weight374.32 g/mol
Exact Mass373.11
IUPAC Name5,6-dichloro-2-[4-(4-ethylpiperazin-1-yl)phenyl]-3H-indole
SMILESCCN1CCN(c2ccc(C3=Nc4cc(Cl)c(Cl)cc4C3)cc2)CC1
InChIInChI=1S/C20H21Cl2N3/c1-2-24-7-9-25(10-8-24)16-5-3-14(4-6-16)19-12-15-11-17(21)18(22)13-20(15)23-19/h3-6,11,13H,2,7-10,12H2,1H3
InChIKeyPUBAQEYLQCARAD-UHFFFAOYSA-N
XLogP4.81
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.32
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-2-[4-(4-ethylpiperazin-1-yl)phenyl]-3H-indole?
The IUPAC name of 5,6-dichloro-2-[4-(4-ethylpiperazin-1-yl)phenyl]-3H-indole (CID 158550826) is 5,6-dichloro-2-[4-(4-ethylpiperazin-1-yl)phenyl]-3H-indole.
What is the SMILES notation for 5,6-dichloro-2-[4-(4-ethylpiperazin-1-yl)phenyl]-3H-indole?
The canonical SMILES for 5,6-dichloro-2-[4-(4-ethylpiperazin-1-yl)phenyl]-3H-indole is CCN1CCN(c2ccc(C3=Nc4cc(Cl)c(Cl)cc4C3)cc2)CC1.
What is the InChIKey of 5,6-dichloro-2-[4-(4-ethylpiperazin-1-yl)phenyl]-3H-indole?
The InChIKey is PUBAQEYLQCARAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Cl2N3/c1-2-24-7-9-25(10-8-24)16-5-3-14(4-6-16)19-12-15-11-17(21)18(22)13-20(15)23-19/h3-6,11,13H,2,7-10,12H2,1H3.
What are the key properties of 5,6-dichloro-2-[4-(4-ethylpiperazin-1-yl)phenyl]-3H-indole?
5,6-dichloro-2-[4-(4-ethylpiperazin-1-yl)phenyl]-3H-indole has a molecular weight of 374.32 g/mol, XLogP of 4.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-2-[4-(4-ethylpiperazin-1-yl)phenyl]-3H-indole is sourced from PubChem (CID 158550826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).