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

C22H24N2O2 — CID 10712733

IUPACN-[2-(10-methoxy-5,6-dihydroindolo[2,1-a]isoquinolin-12-yl)ethyl]propanamide
SMILESCCC(=O)NCCc1c2n(c3ccc(OC)cc13)CCc1ccccc1-2
InChIInChI=1S/C22H24N2O2/c1-3-21(25)23-12-10-18-19-14-16(26-2)8-9-20(19)24-13-11-15-6-4-5-7-17(15)22(18)24/h4-9,14H,3,10-13H2,1-2H3,(H,23,25)
InChIKeyUOIQMQBKLGFZQA-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.94
Rot. Bonds5

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

N-[2-(10-methoxy-5,6-dihydroindolo[2,1-a]isoquinolin-12-yl)ethyl]propanamide (PubChem CID 10712733) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is N-[2-(10-methoxy-5,6-dihydroindolo[2,1-a]isoquinolin-12-yl)ethyl]propanamide.

Molecular Properties

Compound NameN-[2-(10-methoxy-5,6-dihydroindolo[2,1-a]isoquinolin-12-yl)ethyl]propanamide
PubChem CID10712733
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC NameN-[2-(10-methoxy-5,6-dihydroindolo[2,1-a]isoquinolin-12-yl)ethyl]propanamide
SMILESCCC(=O)NCCc1c2n(c3ccc(OC)cc13)CCc1ccccc1-2
InChIInChI=1S/C22H24N2O2/c1-3-21(25)23-12-10-18-19-14-16(26-2)8-9-20(19)24-13-11-15-6-4-5-7-17(15)22(18)24/h4-9,14H,3,10-13H2,1-2H3,(H,23,25)
InChIKeyUOIQMQBKLGFZQA-UHFFFAOYSA-N
XLogP3.94
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.94
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]propanamide?
The IUPAC name of N-[2-(10-methoxy-5,6-dihydroindolo[2,1-a]isoquinolin-12-yl)ethyl]propanamide (CID 10712733) is N-[2-(10-methoxy-5,6-dihydroindolo[2,1-a]isoquinolin-12-yl)ethyl]propanamide.
What is the SMILES notation for N-[2-(10-methoxy-5,6-dihydroindolo[2,1-a]isoquinolin-12-yl)ethyl]propanamide?
The canonical SMILES for N-[2-(10-methoxy-5,6-dihydroindolo[2,1-a]isoquinolin-12-yl)ethyl]propanamide is CCC(=O)NCCc1c2n(c3ccc(OC)cc13)CCc1ccccc1-2.
What is the InChIKey of N-[2-(10-methoxy-5,6-dihydroindolo[2,1-a]isoquinolin-12-yl)ethyl]propanamide?
The InChIKey is UOIQMQBKLGFZQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-3-21(25)23-12-10-18-19-14-16(26-2)8-9-20(19)24-13-11-15-6-4-5-7-17(15)22(18)24/h4-9,14H,3,10-13H2,1-2H3,(H,23,25).
What are the key properties of N-[2-(10-methoxy-5,6-dihydroindolo[2,1-a]isoquinolin-12-yl)ethyl]propanamide?
N-[2-(10-methoxy-5,6-dihydroindolo[2,1-a]isoquinolin-12-yl)ethyl]propanamide has a molecular weight of 348.45 g/mol, XLogP of 3.94, 5 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]propanamide is sourced from PubChem (CID 10712733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).