[6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]-pyrrolidin-1-ylmethanone

C21H25N3O3 — CID 109152150

IUPAC[6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]-pyrrolidin-1-ylmethanone
SMILESCOc1cc2c(cc1OC)CN(c1ccc(C(=O)N3CCCC3)cn1)CC2
InChIInChI=1S/C21H25N3O3/c1-26-18-11-15-7-10-24(14-17(15)12-19(18)27-2)20-6-5-16(13-22-20)21(25)23-8-3-4-9-23/h5-6,11-13H,3-4,7-10,14H2,1-2H3
InChIKeyXSXPXDGBYPNWQJ-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.90
Rot. Bonds4

About [6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]-pyrrolidin-1-ylmethanone

[6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]-pyrrolidin-1-ylmethanone (PubChem CID 109152150) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is [6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]-pyrrolidin-1-ylmethanone
PubChem CID109152150
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name[6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]-pyrrolidin-1-ylmethanone
SMILESCOc1cc2c(cc1OC)CN(c1ccc(C(=O)N3CCCC3)cn1)CC2
InChIInChI=1S/C21H25N3O3/c1-26-18-11-15-7-10-24(14-17(15)12-19(18)27-2)20-6-5-16(13-22-20)21(25)23-8-3-4-9-23/h5-6,11-13H,3-4,7-10,14H2,1-2H3
InChIKeyXSXPXDGBYPNWQJ-UHFFFAOYSA-N
XLogP2.90
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]-pyrrolidin-1-ylmethanone with MolForge

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Related Compounds

azepan-1-yl-[6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methanone
CID 109160960
6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxylic acid
CID 4967934
[6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 109341073
N-cyclohexyl-6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide
CID 109152489
[6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]-piperidin-1-ylmethanone
CID 109112689
[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109168489
[5-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109181844
[5-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridinyl]-piperidin-1-ylmethanone
CID 109182594
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(6-imidazol-1-yl-3-pyridinyl)methanone
CID 38210690
[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridinyl]-piperidin-1-ylmethanone
CID 109204426
6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(furan-2-ylmethyl)pyridine-3-carboxamide
CID 109155413
[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]-(4-ethylpiperazin-1-yl)methanone
CID 84570648

Frequently Asked Questions

What is the IUPAC name of [6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]-pyrrolidin-1-ylmethanone (CID 109152150) is [6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]-pyrrolidin-1-ylmethanone is COc1cc2c(cc1OC)CN(c1ccc(C(=O)N3CCCC3)cn1)CC2.
What is the InChIKey of [6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]-pyrrolidin-1-ylmethanone?
The InChIKey is XSXPXDGBYPNWQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-26-18-11-15-7-10-24(14-17(15)12-19(18)27-2)20-6-5-16(13-22-20)21(25)23-8-3-4-9-23/h5-6,11-13H,3-4,7-10,14H2,1-2H3.
What are the key properties of [6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]-pyrrolidin-1-ylmethanone?
[6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]-pyrrolidin-1-ylmethanone has a molecular weight of 367.45 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 109152150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).