3,4-dihydro-1H-isoquinolin-2-yl-[1-(2-methoxyethyl)indol-6-yl]methanone

C21H22N2O2 — CID 71706055

IUPAC3,4-dihydro-1H-isoquinolin-2-yl-[1-(2-methoxyethyl)indol-6-yl]methanone
SMILESCOCCn1ccc2ccc(C(=O)N3CCc4ccccc4C3)cc21
InChIInChI=1S/C21H22N2O2/c1-25-13-12-22-10-9-17-6-7-18(14-20(17)22)21(24)23-11-8-16-4-2-3-5-19(16)15-23/h2-7,9-10,14H,8,11-13,15H2,1H3
InChIKeyBZVRVMZXMNGFMG-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.49
Rot. Bonds4

About 3,4-dihydro-1H-isoquinolin-2-yl-[1-(2-methoxyethyl)indol-6-yl]methanone

3,4-dihydro-1H-isoquinolin-2-yl-[1-(2-methoxyethyl)indol-6-yl]methanone (PubChem CID 71706055) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 3,4-dihydro-1H-isoquinolin-2-yl-[1-(2-methoxyethyl)indol-6-yl]methanone.

Molecular Properties

Compound Name3,4-dihydro-1H-isoquinolin-2-yl-[1-(2-methoxyethyl)indol-6-yl]methanone
PubChem CID71706055
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC Name3,4-dihydro-1H-isoquinolin-2-yl-[1-(2-methoxyethyl)indol-6-yl]methanone
SMILESCOCCn1ccc2ccc(C(=O)N3CCc4ccccc4C3)cc21
InChIInChI=1S/C21H22N2O2/c1-25-13-12-22-10-9-17-6-7-18(14-20(17)22)21(24)23-11-8-16-4-2-3-5-19(16)15-23/h2-7,9-10,14H,8,11-13,15H2,1H3
InChIKeyBZVRVMZXMNGFMG-UHFFFAOYSA-N
XLogP3.49
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(3-methoxypropyl)benzamide
CID 109045275
3,4-dihydro-1H-isoquinolin-2-yl-[6-[2-(1-methylpiperidin-2-yl)ethoxy]naphthalen-2-yl]methanone
CID 69073873
7-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-(3-methoxypropyl)-2-sulfanylidene-1H-quinazolin-4-one
CID 55456851
N-[(2S,3R)-1-hydroxy-3-methylpentan-2-yl]-1-(2-methoxyethyl)indole-6-carboxamide
CID 110205741
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-indol-1-ylethanone
CID 39338416
4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(4-methoxyphenyl)benzamide
CID 109047927
methyl 1-(2-methoxyethyl)indole-5-carboxylate
CID 67169484
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[1-(2-methoxyethyl)indol-3-yl]methanone
CID 71754385
(2-chloro-6-methoxy-4-pyridinyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 84575966
3,4-dihydro-1H-isoquinolin-2-yl-(2,3-dimethyl-1H-indol-5-yl)methanone
CID 4788431
1-[9-[1-(2-methoxyethyl)benzimidazole-5-carbonyl]-6-methyl-2,6,9-triazabicyclo[9.4.0]pentadeca-1(15),11,13-trien-2-yl]ethanone
CID 133068348
N-[1-(2-methoxyethyl)indol-4-yl]-1-methylindole-6-carboxamide
CID 56763718

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl-[1-(2-methoxyethyl)indol-6-yl]methanone?
The IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl-[1-(2-methoxyethyl)indol-6-yl]methanone (CID 71706055) is 3,4-dihydro-1H-isoquinolin-2-yl-[1-(2-methoxyethyl)indol-6-yl]methanone.
What is the SMILES notation for 3,4-dihydro-1H-isoquinolin-2-yl-[1-(2-methoxyethyl)indol-6-yl]methanone?
The canonical SMILES for 3,4-dihydro-1H-isoquinolin-2-yl-[1-(2-methoxyethyl)indol-6-yl]methanone is COCCn1ccc2ccc(C(=O)N3CCc4ccccc4C3)cc21.
What is the InChIKey of 3,4-dihydro-1H-isoquinolin-2-yl-[1-(2-methoxyethyl)indol-6-yl]methanone?
The InChIKey is BZVRVMZXMNGFMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-25-13-12-22-10-9-17-6-7-18(14-20(17)22)21(24)23-11-8-16-4-2-3-5-19(16)15-23/h2-7,9-10,14H,8,11-13,15H2,1H3.
What are the key properties of 3,4-dihydro-1H-isoquinolin-2-yl-[1-(2-methoxyethyl)indol-6-yl]methanone?
3,4-dihydro-1H-isoquinolin-2-yl-[1-(2-methoxyethyl)indol-6-yl]methanone has a molecular weight of 334.42 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-1H-isoquinolin-2-yl-[1-(2-methoxyethyl)indol-6-yl]methanone is sourced from PubChem (CID 71706055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).