4-[2-[3-(3,4-dichlorophenyl)-8-azabicyclo[3.2.1]oct-2-en-8-yl]ethoxy]-1H-indole

C23H22Cl2N2O — CID 10295207

IUPAC4-[2-[3-(3,4-dichlorophenyl)-8-azabicyclo[3.2.1]oct-2-en-8-yl]ethoxy]-1H-indole
SMILESClc1ccc(C2=CC3CCC(C2)N3CCOc2cccc3[nH]ccc23)cc1Cl
InChIInChI=1S/C23H22Cl2N2O/c24-20-7-4-15(14-21(20)25)16-12-17-5-6-18(13-16)27(17)10-11-28-23-3-1-2-22-19(23)8-9-26-22/h1-4,7-9,12,14,17-18,26H,5-6,10-11,13H2
InChIKeyVQOZKEVLIXCLAX-UHFFFAOYSA-N
MW413.35 g/mol
LogP6.17
Rot. Bonds5

About 4-[2-[3-(3,4-dichlorophenyl)-8-azabicyclo[3.2.1]oct-2-en-8-yl]ethoxy]-1H-indole

4-[2-[3-(3,4-dichlorophenyl)-8-azabicyclo[3.2.1]oct-2-en-8-yl]ethoxy]-1H-indole (PubChem CID 10295207) has the molecular formula C23H22Cl2N2O and a molecular weight of 413.35 g/mol. Its IUPAC name is 4-[2-[3-(3,4-dichlorophenyl)-8-azabicyclo[3.2.1]oct-2-en-8-yl]ethoxy]-1H-indole.

Molecular Properties

Compound Name4-[2-[3-(3,4-dichlorophenyl)-8-azabicyclo[3.2.1]oct-2-en-8-yl]ethoxy]-1H-indole
PubChem CID10295207
Molecular FormulaC23H22Cl2N2O
Molecular Weight413.35 g/mol
Exact Mass412.11
IUPAC Name4-[2-[3-(3,4-dichlorophenyl)-8-azabicyclo[3.2.1]oct-2-en-8-yl]ethoxy]-1H-indole
SMILESClc1ccc(C2=CC3CCC(C2)N3CCOc2cccc3[nH]ccc23)cc1Cl
InChIInChI=1S/C23H22Cl2N2O/c24-20-7-4-15(14-21(20)25)16-12-17-5-6-18(13-16)27(17)10-11-28-23-3-1-2-22-19(23)8-9-26-22/h1-4,7-9,12,14,17-18,26H,5-6,10-11,13H2
InChIKeyVQOZKEVLIXCLAX-UHFFFAOYSA-N
XLogP6.17
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.35
LogP ≤ 56.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-(3,4-dichlorophenyl)-8-azabicyclo[3.2.1]oct-2-en-8-yl]ethoxy]-1H-indole?
The IUPAC name of 4-[2-[3-(3,4-dichlorophenyl)-8-azabicyclo[3.2.1]oct-2-en-8-yl]ethoxy]-1H-indole (CID 10295207) is 4-[2-[3-(3,4-dichlorophenyl)-8-azabicyclo[3.2.1]oct-2-en-8-yl]ethoxy]-1H-indole.
What is the SMILES notation for 4-[2-[3-(3,4-dichlorophenyl)-8-azabicyclo[3.2.1]oct-2-en-8-yl]ethoxy]-1H-indole?
The canonical SMILES for 4-[2-[3-(3,4-dichlorophenyl)-8-azabicyclo[3.2.1]oct-2-en-8-yl]ethoxy]-1H-indole is Clc1ccc(C2=CC3CCC(C2)N3CCOc2cccc3[nH]ccc23)cc1Cl.
What is the InChIKey of 4-[2-[3-(3,4-dichlorophenyl)-8-azabicyclo[3.2.1]oct-2-en-8-yl]ethoxy]-1H-indole?
The InChIKey is VQOZKEVLIXCLAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22Cl2N2O/c24-20-7-4-15(14-21(20)25)16-12-17-5-6-18(13-16)27(17)10-11-28-23-3-1-2-22-19(23)8-9-26-22/h1-4,7-9,12,14,17-18,26H,5-6,10-11,13H2.
What are the key properties of 4-[2-[3-(3,4-dichlorophenyl)-8-azabicyclo[3.2.1]oct-2-en-8-yl]ethoxy]-1H-indole?
4-[2-[3-(3,4-dichlorophenyl)-8-azabicyclo[3.2.1]oct-2-en-8-yl]ethoxy]-1H-indole has a molecular weight of 413.35 g/mol, XLogP of 6.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-(3,4-dichlorophenyl)-8-azabicyclo[3.2.1]oct-2-en-8-yl]ethoxy]-1H-indole is sourced from PubChem (CID 10295207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).