N-[2-(5,6-dihydroindolo[2,1-a]isoquinolin-12-yl)ethyl]acetamide

C20H20N2O — CID 10709646

IUPACN-[2-(5,6-dihydroindolo[2,1-a]isoquinolin-12-yl)ethyl]acetamide
SMILESCC(=O)NCCc1c2n(c3ccccc13)CCc1ccccc1-2
InChIInChI=1S/C20H20N2O/c1-14(23)21-12-10-18-17-8-4-5-9-19(17)22-13-11-15-6-2-3-7-16(15)20(18)22/h2-9H,10-13H2,1H3,(H,21,23)
InChIKeySJGFLRLQFAWIKZ-UHFFFAOYSA-N
MW304.39 g/mol
LogP3.54
Rot. Bonds3

About N-[2-(5,6-dihydroindolo[2,1-a]isoquinolin-12-yl)ethyl]acetamide

N-[2-(5,6-dihydroindolo[2,1-a]isoquinolin-12-yl)ethyl]acetamide (PubChem CID 10709646) has the molecular formula C20H20N2O and a molecular weight of 304.39 g/mol. Its IUPAC name is N-[2-(5,6-dihydroindolo[2,1-a]isoquinolin-12-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(5,6-dihydroindolo[2,1-a]isoquinolin-12-yl)ethyl]acetamide
PubChem CID10709646
Molecular FormulaC20H20N2O
Molecular Weight304.39 g/mol
Exact Mass304.16
IUPAC NameN-[2-(5,6-dihydroindolo[2,1-a]isoquinolin-12-yl)ethyl]acetamide
SMILESCC(=O)NCCc1c2n(c3ccccc13)CCc1ccccc1-2
InChIInChI=1S/C20H20N2O/c1-14(23)21-12-10-18-17-8-4-5-9-19(17)22-13-11-15-6-2-3-7-16(15)20(18)22/h2-9H,10-13H2,1H3,(H,21,23)
InChIKeySJGFLRLQFAWIKZ-UHFFFAOYSA-N
XLogP3.54
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5,6-dihydroindolo[2,1-a]isoquinolin-12-yl)ethyl]acetamide?
The IUPAC name of N-[2-(5,6-dihydroindolo[2,1-a]isoquinolin-12-yl)ethyl]acetamide (CID 10709646) is N-[2-(5,6-dihydroindolo[2,1-a]isoquinolin-12-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-(5,6-dihydroindolo[2,1-a]isoquinolin-12-yl)ethyl]acetamide?
The canonical SMILES for N-[2-(5,6-dihydroindolo[2,1-a]isoquinolin-12-yl)ethyl]acetamide is CC(=O)NCCc1c2n(c3ccccc13)CCc1ccccc1-2.
What is the InChIKey of N-[2-(5,6-dihydroindolo[2,1-a]isoquinolin-12-yl)ethyl]acetamide?
The InChIKey is SJGFLRLQFAWIKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O/c1-14(23)21-12-10-18-17-8-4-5-9-19(17)22-13-11-15-6-2-3-7-16(15)20(18)22/h2-9H,10-13H2,1H3,(H,21,23).
What are the key properties of N-[2-(5,6-dihydroindolo[2,1-a]isoquinolin-12-yl)ethyl]acetamide?
N-[2-(5,6-dihydroindolo[2,1-a]isoquinolin-12-yl)ethyl]acetamide has a molecular weight of 304.39 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5,6-dihydroindolo[2,1-a]isoquinolin-12-yl)ethyl]acetamide is sourced from PubChem (CID 10709646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).