N-[2-(10-methoxy-5,6-dihydroindolo[2,1-a]isoquinolin-12-yl)ethyl]acetamide

C21H22N2O2 — CID 10616723

IUPACN-[2-(10-methoxy-5,6-dihydroindolo[2,1-a]isoquinolin-12-yl)ethyl]acetamide
SMILESCOc1ccc2c(c1)c(CCNC(C)=O)c1n2CCc2ccccc2-1
InChIInChI=1S/C21H22N2O2/c1-14(24)22-11-9-18-19-13-16(25-2)7-8-20(19)23-12-10-15-5-3-4-6-17(15)21(18)23/h3-8,13H,9-12H2,1-2H3,(H,22,24)
InChIKeyYJUIMSHUKZPSNN-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.55
Rot. Bonds4

About N-[2-(10-methoxy-5,6-dihydroindolo[2,1-a]isoquinolin-12-yl)ethyl]acetamide

N-[2-(10-methoxy-5,6-dihydroindolo[2,1-a]isoquinolin-12-yl)ethyl]acetamide (PubChem CID 10616723) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is N-[2-(10-methoxy-5,6-dihydroindolo[2,1-a]isoquinolin-12-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(10-methoxy-5,6-dihydroindolo[2,1-a]isoquinolin-12-yl)ethyl]acetamide
PubChem CID10616723
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC NameN-[2-(10-methoxy-5,6-dihydroindolo[2,1-a]isoquinolin-12-yl)ethyl]acetamide
SMILESCOc1ccc2c(c1)c(CCNC(C)=O)c1n2CCc2ccccc2-1
InChIInChI=1S/C21H22N2O2/c1-14(24)22-11-9-18-19-13-16(25-2)7-8-20(19)23-12-10-15-5-3-4-6-17(15)21(18)23/h3-8,13H,9-12H2,1-2H3,(H,22,24)
InChIKeyYJUIMSHUKZPSNN-UHFFFAOYSA-N
XLogP3.55
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(10-methoxy-5,6-dihydroindolo[2,1-a]isoquinolin-12-yl)ethyl]acetamide?
The IUPAC name of N-[2-(10-methoxy-5,6-dihydroindolo[2,1-a]isoquinolin-12-yl)ethyl]acetamide (CID 10616723) is N-[2-(10-methoxy-5,6-dihydroindolo[2,1-a]isoquinolin-12-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-(10-methoxy-5,6-dihydroindolo[2,1-a]isoquinolin-12-yl)ethyl]acetamide?
The canonical SMILES for N-[2-(10-methoxy-5,6-dihydroindolo[2,1-a]isoquinolin-12-yl)ethyl]acetamide is COc1ccc2c(c1)c(CCNC(C)=O)c1n2CCc2ccccc2-1.
What is the InChIKey of N-[2-(10-methoxy-5,6-dihydroindolo[2,1-a]isoquinolin-12-yl)ethyl]acetamide?
The InChIKey is YJUIMSHUKZPSNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-14(24)22-11-9-18-19-13-16(25-2)7-8-20(19)23-12-10-15-5-3-4-6-17(15)21(18)23/h3-8,13H,9-12H2,1-2H3,(H,22,24).
What are the key properties of N-[2-(10-methoxy-5,6-dihydroindolo[2,1-a]isoquinolin-12-yl)ethyl]acetamide?
N-[2-(10-methoxy-5,6-dihydroindolo[2,1-a]isoquinolin-12-yl)ethyl]acetamide has a molecular weight of 334.42 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(10-methoxy-5,6-dihydroindolo[2,1-a]isoquinolin-12-yl)ethyl]acetamide is sourced from PubChem (CID 10616723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).