2-methyl-7-(2-pyrrolidin-2-ylethoxy)-3,4-dihydroisoquinolin-1-one

C16H22N2O2 — CID 69005757

IUPAC2-methyl-7-(2-pyrrolidin-2-ylethoxy)-3,4-dihydroisoquinolin-1-one
SMILESCN1CCc2ccc(OCCC3CCCN3)cc2C1=O
InChIInChI=1S/C16H22N2O2/c1-18-9-6-12-4-5-14(11-15(12)16(18)19)20-10-7-13-3-2-8-17-13/h4-5,11,13,17H,2-3,6-10H2,1H3
InChIKeyVJDFNBCVBFRTCK-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.84
Rot. Bonds4

About 2-methyl-7-(2-pyrrolidin-2-ylethoxy)-3,4-dihydroisoquinolin-1-one

2-methyl-7-(2-pyrrolidin-2-ylethoxy)-3,4-dihydroisoquinolin-1-one (PubChem CID 69005757) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 2-methyl-7-(2-pyrrolidin-2-ylethoxy)-3,4-dihydroisoquinolin-1-one.

Molecular Properties

Compound Name2-methyl-7-(2-pyrrolidin-2-ylethoxy)-3,4-dihydroisoquinolin-1-one
PubChem CID69005757
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name2-methyl-7-(2-pyrrolidin-2-ylethoxy)-3,4-dihydroisoquinolin-1-one
SMILESCN1CCc2ccc(OCCC3CCCN3)cc2C1=O
InChIInChI=1S/C16H22N2O2/c1-18-9-6-12-4-5-14(11-15(12)16(18)19)20-10-7-13-3-2-8-17-13/h4-5,11,13,17H,2-3,6-10H2,1H3
InChIKeyVJDFNBCVBFRTCK-UHFFFAOYSA-N
XLogP1.84
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-7-[3-(2-methylpiperidin-1-yl)propoxy]-3,4-dihydroisoquinolin-1-one
CID 155528188
8-(2-aminoethoxy)-2-methyl-4,5-dihydro-3H-2-benzazepin-1-one
CID 83853207
2-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]pyrrolidine
CID 55076470
2-[2-(3-methylphenoxy)ethyl]pyrrolidine
CID 23339440
7-[3-[4-(2-fluorophenyl)piperazin-1-yl]propoxy]-2-methyl-3,4-dihydroisoquinolin-1-one
CID 135339838
(2R)-2-[2-(4-ethoxyphenoxy)ethyl]piperidine
CID 28749865
(2S)-2-[2-(4-bromo-3-methylphenoxy)ethyl]piperidine
CID 86320194
4-butoxy-2,5-bis(2-pyrrolidin-2-ylethoxy)fluoren-9-one
CID 19594842
2-methyl-7-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propoxy]-3,4-dihydroisoquinolin-1-one
CID 162663239
4-[2-[(2S)-piperidin-2-yl]ethoxy]benzoic acid
CID 94751423
2-methyl-4-(2-piperidin-2-ylethoxy)benzamide
CID 81276506
2-methyl-1-[[4-(2-piperidin-2-ylethoxy)phenyl]methyl]-3,4-dihydro-1H-isoquinolin-6-ol
CID 69311695

Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-(2-pyrrolidin-2-ylethoxy)-3,4-dihydroisoquinolin-1-one?
The IUPAC name of 2-methyl-7-(2-pyrrolidin-2-ylethoxy)-3,4-dihydroisoquinolin-1-one (CID 69005757) is 2-methyl-7-(2-pyrrolidin-2-ylethoxy)-3,4-dihydroisoquinolin-1-one.
What is the SMILES notation for 2-methyl-7-(2-pyrrolidin-2-ylethoxy)-3,4-dihydroisoquinolin-1-one?
The canonical SMILES for 2-methyl-7-(2-pyrrolidin-2-ylethoxy)-3,4-dihydroisoquinolin-1-one is CN1CCc2ccc(OCCC3CCCN3)cc2C1=O.
What is the InChIKey of 2-methyl-7-(2-pyrrolidin-2-ylethoxy)-3,4-dihydroisoquinolin-1-one?
The InChIKey is VJDFNBCVBFRTCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-18-9-6-12-4-5-14(11-15(12)16(18)19)20-10-7-13-3-2-8-17-13/h4-5,11,13,17H,2-3,6-10H2,1H3.
What are the key properties of 2-methyl-7-(2-pyrrolidin-2-ylethoxy)-3,4-dihydroisoquinolin-1-one?
2-methyl-7-(2-pyrrolidin-2-ylethoxy)-3,4-dihydroisoquinolin-1-one has a molecular weight of 274.36 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-(2-pyrrolidin-2-ylethoxy)-3,4-dihydroisoquinolin-1-one is sourced from PubChem (CID 69005757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).