2-(2-acetyl-1H-isoquinolin-1-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone

C22H22N2O2 — CID 51229040

IUPAC2-(2-acetyl-1H-isoquinolin-1-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
SMILESCC(=O)N1C=Cc2ccccc2C1CC(=O)N1c2ccccc2CC1C
InChIInChI=1S/C22H22N2O2/c1-15-13-18-8-4-6-10-20(18)24(15)22(26)14-21-19-9-5-3-7-17(19)11-12-23(21)16(2)25/h3-12,15,21H,13-14H2,1-2H3
InChIKeyVATQWOVBQSJZAN-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.93
Rot. Bonds2

About 2-(2-acetyl-1H-isoquinolin-1-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone

2-(2-acetyl-1H-isoquinolin-1-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone (PubChem CID 51229040) has the molecular formula C22H22N2O2 and a molecular weight of 346.43 g/mol. Its IUPAC name is 2-(2-acetyl-1H-isoquinolin-1-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone.

Molecular Properties

Compound Name2-(2-acetyl-1H-isoquinolin-1-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
PubChem CID51229040
Molecular FormulaC22H22N2O2
Molecular Weight346.43 g/mol
Exact Mass346.17
IUPAC Name2-(2-acetyl-1H-isoquinolin-1-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
SMILESCC(=O)N1C=Cc2ccccc2C1CC(=O)N1c2ccccc2CC1C
InChIInChI=1S/C22H22N2O2/c1-15-13-18-8-4-6-10-20(18)24(15)22(26)14-21-19-9-5-3-7-17(19)11-12-23(21)16(2)25/h3-12,15,21H,13-14H2,1-2H3
InChIKeyVATQWOVBQSJZAN-UHFFFAOYSA-N
XLogP3.93
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(2-acetyl-1H-isoquinolin-1-yl)acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 119195744
2-(2-acetyl-1H-isoquinolin-1-yl)-1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanone
CID 51274999
2-[2-(2-acetyl-1H-isoquinolin-1-yl)acetyl]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid
CID 119212642
2-(2-acetyl-1H-isoquinolin-1-yl)-N-(2,3-dihydro-1H-inden-1-yl)acetamide
CID 42924303
2-(2-acetyl-1H-isoquinolin-1-yl)-1-[2-(4-methylphenyl)pyrrolidin-1-yl]ethanone
CID 43059269
2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]acetamide
CID 51936199
2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-(2-morpholin-4-ylphenyl)acetamide
CID 40939778
(3S)-1-[2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]acetyl]piperidine-3-carboxamide
CID 94441031
2-(2-acetyl-1H-isoquinolin-1-yl)-N-(2,3-dimethylcyclohexyl)acetamide
CID 51238522
2-(2-acetyl-1H-isoquinolin-1-yl)-N-pentan-3-ylacetamide
CID 134044607
1-[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]ethanone
CID 94486974
3-amino-3-methyl-1-(2-methyl-2,3-dihydroindol-1-yl)butan-1-one
CID 64685929

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetyl-1H-isoquinolin-1-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone?
The IUPAC name of 2-(2-acetyl-1H-isoquinolin-1-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone (CID 51229040) is 2-(2-acetyl-1H-isoquinolin-1-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone.
What is the SMILES notation for 2-(2-acetyl-1H-isoquinolin-1-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone?
The canonical SMILES for 2-(2-acetyl-1H-isoquinolin-1-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone is CC(=O)N1C=Cc2ccccc2C1CC(=O)N1c2ccccc2CC1C.
What is the InChIKey of 2-(2-acetyl-1H-isoquinolin-1-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone?
The InChIKey is VATQWOVBQSJZAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2/c1-15-13-18-8-4-6-10-20(18)24(15)22(26)14-21-19-9-5-3-7-17(19)11-12-23(21)16(2)25/h3-12,15,21H,13-14H2,1-2H3.
What are the key properties of 2-(2-acetyl-1H-isoquinolin-1-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone?
2-(2-acetyl-1H-isoquinolin-1-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone has a molecular weight of 346.43 g/mol, XLogP of 3.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetyl-1H-isoquinolin-1-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone is sourced from PubChem (CID 51229040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).