2-benzyl-7-[2-(2,3-dihydroindol-1-yl)ethoxy]-3,4-dihydro-1H-isoquinoline

C26H28N2O — CID 141038257

IUPAC2-benzyl-7-[2-(2,3-dihydroindol-1-yl)ethoxy]-3,4-dihydro-1H-isoquinoline
SMILESc1ccc(CN2CCc3ccc(OCCN4CCc5ccccc54)cc3C2)cc1
InChIInChI=1S/C26H28N2O/c1-2-6-21(7-3-1)19-27-14-12-22-10-11-25(18-24(22)20-27)29-17-16-28-15-13-23-8-4-5-9-26(23)28/h1-11,18H,12-17,19-20H2
InChIKeyVRGDONAQLIDDQI-UHFFFAOYSA-N
MW384.52 g/mol
LogP4.69
Rot. Bonds6

About 2-benzyl-7-[2-(2,3-dihydroindol-1-yl)ethoxy]-3,4-dihydro-1H-isoquinoline

2-benzyl-7-[2-(2,3-dihydroindol-1-yl)ethoxy]-3,4-dihydro-1H-isoquinoline (PubChem CID 141038257) has the molecular formula C26H28N2O and a molecular weight of 384.52 g/mol. Its IUPAC name is 2-benzyl-7-[2-(2,3-dihydroindol-1-yl)ethoxy]-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name2-benzyl-7-[2-(2,3-dihydroindol-1-yl)ethoxy]-3,4-dihydro-1H-isoquinoline
PubChem CID141038257
Molecular FormulaC26H28N2O
Molecular Weight384.52 g/mol
Exact Mass384.22
IUPAC Name2-benzyl-7-[2-(2,3-dihydroindol-1-yl)ethoxy]-3,4-dihydro-1H-isoquinoline
SMILESc1ccc(CN2CCc3ccc(OCCN4CCc5ccccc54)cc3C2)cc1
InChIInChI=1S/C26H28N2O/c1-2-6-21(7-3-1)19-27-14-12-22-10-11-25(18-24(22)20-27)29-17-16-28-15-13-23-8-4-5-9-26(23)28/h1-11,18H,12-17,19-20H2
InChIKeyVRGDONAQLIDDQI-UHFFFAOYSA-N
XLogP4.69
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-benzyl-7-(3-piperidin-1-ylpropoxy)-1,2,4,5-tetrahydro-3-benzazepine
CID 10429768
1-[2-(4-fluorophenoxy)ethyl]-2,3-dihydroindole
CID 82089229
2-benzyl-5-phenylmethoxy-1,3-dihydroisoindole
CID 171397259
2-benzyl-3,4-dihydro-1H-isoquinolin-7-amine;hydrochloride
CID 23298431
1-[2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethyl]-2,3-dihydroindole
CID 113249418
5-[[4-[2-(2,3-dihydroindol-1-yl)ethoxy]phenyl]methyl]-1,3-thiazolidine
CID 141169067
1-benzyl-6-[3-(4-phenylpiperazin-1-yl)propoxy]-3,4-dihydro-2H-quinoline
CID 44589460
6-chloro-2-(2-phenoxyethyl)-3,4-dihydro-1H-isoquinoline
CID 110456922
2-(1-benzyl-2,3-dihydroindol-6-yl)acetaldehyde
CID 115107244
2-benzyl-7-methoxy-6-phenylmethoxy-3,4-dihydro-1H-isoquinoline
CID 25071224
4-[2-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)oxy]ethyl]morpholine
CID 69000749
5-[[4-[2-(2,3-dihydroindol-1-yl)ethoxy]phenyl]methyl]-4-hydroxy-3H-1,3-thiazol-2-one
CID 54418802

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-7-[2-(2,3-dihydroindol-1-yl)ethoxy]-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 2-benzyl-7-[2-(2,3-dihydroindol-1-yl)ethoxy]-3,4-dihydro-1H-isoquinoline (CID 141038257) is 2-benzyl-7-[2-(2,3-dihydroindol-1-yl)ethoxy]-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 2-benzyl-7-[2-(2,3-dihydroindol-1-yl)ethoxy]-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 2-benzyl-7-[2-(2,3-dihydroindol-1-yl)ethoxy]-3,4-dihydro-1H-isoquinoline is c1ccc(CN2CCc3ccc(OCCN4CCc5ccccc54)cc3C2)cc1.
What is the InChIKey of 2-benzyl-7-[2-(2,3-dihydroindol-1-yl)ethoxy]-3,4-dihydro-1H-isoquinoline?
The InChIKey is VRGDONAQLIDDQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O/c1-2-6-21(7-3-1)19-27-14-12-22-10-11-25(18-24(22)20-27)29-17-16-28-15-13-23-8-4-5-9-26(23)28/h1-11,18H,12-17,19-20H2.
What are the key properties of 2-benzyl-7-[2-(2,3-dihydroindol-1-yl)ethoxy]-3,4-dihydro-1H-isoquinoline?
2-benzyl-7-[2-(2,3-dihydroindol-1-yl)ethoxy]-3,4-dihydro-1H-isoquinoline has a molecular weight of 384.52 g/mol, XLogP of 4.69, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-7-[2-(2,3-dihydroindol-1-yl)ethoxy]-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 141038257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).