(6,7-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)-pyrrolidin-3-ylmethanone

C16H22N2O — CID 59069252

IUPAC(6,7-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)-pyrrolidin-3-ylmethanone
SMILESCc1cc2c(cc1C)CN(C(=O)C1CCNC1)CC2
InChIInChI=1S/C16H22N2O/c1-11-7-13-4-6-18(10-15(13)8-12(11)2)16(19)14-3-5-17-9-14/h7-8,14,17H,3-6,9-10H2,1-2H3
InChIKeyZDNXAMQLTWLRQF-UHFFFAOYSA-N
MW258.36 g/mol
LogP1.80
Rot. Bonds1

About (6,7-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)-pyrrolidin-3-ylmethanone

(6,7-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)-pyrrolidin-3-ylmethanone (PubChem CID 59069252) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is (6,7-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)-pyrrolidin-3-ylmethanone.

Molecular Properties

Compound Name(6,7-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)-pyrrolidin-3-ylmethanone
PubChem CID59069252
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name(6,7-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)-pyrrolidin-3-ylmethanone
SMILESCc1cc2c(cc1C)CN(C(=O)C1CCNC1)CC2
InChIInChI=1S/C16H22N2O/c1-11-7-13-4-6-18(10-15(13)8-12(11)2)16(19)14-3-5-17-9-14/h7-8,14,17H,3-6,9-10H2,1-2H3
InChIKeyZDNXAMQLTWLRQF-UHFFFAOYSA-N
XLogP1.80
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (6,7-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)-pyrrolidin-3-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

(6,7-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)-piperidin-3-ylmethanone
CID 59069214
(6,7-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)-piperidin-4-ylmethanone
CID 59069334
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl(pyrrolidin-3-yl)methanone;hydrochloride
CID 119700115
1,3-dihydroisoindol-2-yl(pyrrolidin-3-yl)methanone;hydrochloride
CID 119777889
(4-methylpiperazin-1-yl)-[(3R)-pyrrolidin-3-yl]methanone
CID 94915356
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone
CID 55712640
4-[(3S)-pyrrolidine-3-carbonyl]piperazin-2-one
CID 94915607
(6,8-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)-piperidin-3-ylmethanone
CID 119340713
pyrrolidin-1-yl(pyrrolidin-3-yl)methanone;hydrochloride
CID 67294247
2-(2-fluorophenyl)-N-[2-[(3R)-pyrrolidine-3-carbonyl]-3,4-dihydro-1H-isoquinolin-7-yl]acetamide
CID 97286208
4-[(3R)-pyrrolidine-3-carbonyl]piperazin-2-one;hydrochloride
CID 130677789
(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[(2S,4S)-2-methylpiperidin-4-yl]methanone;hydrochloride
CID 120618676

Frequently Asked Questions

What is the IUPAC name of (6,7-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)-pyrrolidin-3-ylmethanone?
The IUPAC name of (6,7-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)-pyrrolidin-3-ylmethanone (CID 59069252) is (6,7-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)-pyrrolidin-3-ylmethanone.
What is the SMILES notation for (6,7-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)-pyrrolidin-3-ylmethanone?
The canonical SMILES for (6,7-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)-pyrrolidin-3-ylmethanone is Cc1cc2c(cc1C)CN(C(=O)C1CCNC1)CC2.
What is the InChIKey of (6,7-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)-pyrrolidin-3-ylmethanone?
The InChIKey is ZDNXAMQLTWLRQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-11-7-13-4-6-18(10-15(13)8-12(11)2)16(19)14-3-5-17-9-14/h7-8,14,17H,3-6,9-10H2,1-2H3.
What are the key properties of (6,7-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)-pyrrolidin-3-ylmethanone?
(6,7-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)-pyrrolidin-3-ylmethanone has a molecular weight of 258.36 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6,7-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)-pyrrolidin-3-ylmethanone is sourced from PubChem (CID 59069252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).