(8-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-pyrrolidin-2-ylmethanone

C15H20N2O2 — CID 110481278

IUPAC(8-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-pyrrolidin-2-ylmethanone
SMILESCOc1cccc2c1CN(C(=O)C1CCCN1)CC2
InChIInChI=1S/C15H20N2O2/c1-19-14-6-2-4-11-7-9-17(10-12(11)14)15(18)13-5-3-8-16-13/h2,4,6,13,16H,3,5,7-10H2,1H3
InChIKeyQMHJQZFLMQAKPZ-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.33
Rot. Bonds2

About (8-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-pyrrolidin-2-ylmethanone

(8-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-pyrrolidin-2-ylmethanone (PubChem CID 110481278) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is (8-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-pyrrolidin-2-ylmethanone.

Molecular Properties

Compound Name(8-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-pyrrolidin-2-ylmethanone
PubChem CID110481278
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name(8-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-pyrrolidin-2-ylmethanone
SMILESCOc1cccc2c1CN(C(=O)C1CCCN1)CC2
InChIInChI=1S/C15H20N2O2/c1-19-14-6-2-4-11-7-9-17(10-12(11)14)15(18)13-5-3-8-16-13/h2,4,6,13,16H,3,5,7-10H2,1H3
InChIKeyQMHJQZFLMQAKPZ-UHFFFAOYSA-N
XLogP1.33
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (8-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-pyrrolidin-2-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(8-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-[(2S)-pyrrolidin-2-yl]methanone
CID 96999767
(8-bromo-3,4-dihydro-1H-isoquinolin-2-yl)-pyrrolidin-2-ylmethanone
CID 119327935
2-[(2R)-pyrrolidine-2-carbonyl]-3,4-dihydro-1H-isoquinoline-5-carboxylic acid
CID 104901455
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[(2R)-piperidin-2-yl]methanone;hydrochloride
CID 119679753
2-(piperidine-2-carbonyl)-3,4-dihydro-1H-isoquinoline-5-carboxylic acid
CID 104559033
(5-bromo-3,4-dihydro-1H-isoquinolin-2-yl)-piperidin-2-ylmethanone
CID 119312734
(4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-piperidin-2-ylmethanone;hydrochloride
CID 119273685
7,8-dihydro-5H-1,6-naphthyridin-6-yl(pyrrolidin-2-yl)methanone
CID 60862419
1,3-dihydroisoindol-2-yl(pyrrolidin-2-yl)methanone;hydrochloride
CID 119320268
8-methoxy-N-spiro[2.5]octan-6-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 154746108
(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-[(2R)-pyrrolidin-2-yl]methanone
CID 106313965
[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-pyrrolidin-2-ylmethanone
CID 119282011

Frequently Asked Questions

What is the IUPAC name of (8-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-pyrrolidin-2-ylmethanone?
The IUPAC name of (8-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-pyrrolidin-2-ylmethanone (CID 110481278) is (8-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-pyrrolidin-2-ylmethanone.
What is the SMILES notation for (8-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-pyrrolidin-2-ylmethanone?
The canonical SMILES for (8-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-pyrrolidin-2-ylmethanone is COc1cccc2c1CN(C(=O)C1CCCN1)CC2.
What is the InChIKey of (8-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-pyrrolidin-2-ylmethanone?
The InChIKey is QMHJQZFLMQAKPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-19-14-6-2-4-11-7-9-17(10-12(11)14)15(18)13-5-3-8-16-13/h2,4,6,13,16H,3,5,7-10H2,1H3.
What are the key properties of (8-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-pyrrolidin-2-ylmethanone?
(8-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-pyrrolidin-2-ylmethanone has a molecular weight of 260.34 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-pyrrolidin-2-ylmethanone is sourced from PubChem (CID 110481278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).