5-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]pyrrolidin-3-ol

C16H24N2O3 — CID 66057340

IUPAC5-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]pyrrolidin-3-ol
SMILESCOc1cc2c(cc1OC)CN(CC1CC(O)CN1)CC2
InChIInChI=1S/C16H24N2O3/c1-20-15-5-11-3-4-18(9-12(11)6-16(15)21-2)10-13-7-14(19)8-17-13/h5-6,13-14,17,19H,3-4,7-10H2,1-2H3
InChIKeyGLSRAIHVWJYUSG-UHFFFAOYSA-N
MW292.38 g/mol
LogP0.78
Rot. Bonds4

About 5-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]pyrrolidin-3-ol

5-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]pyrrolidin-3-ol (PubChem CID 66057340) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 5-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name5-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]pyrrolidin-3-ol
PubChem CID66057340
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name5-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]pyrrolidin-3-ol
SMILESCOc1cc2c(cc1OC)CN(CC1CC(O)CN1)CC2
InChIInChI=1S/C16H24N2O3/c1-20-15-5-11-3-4-18(9-12(11)6-16(15)21-2)10-13-7-14(19)8-17-13/h5-6,13-14,17,19H,3-4,7-10H2,1-2H3
InChIKeyGLSRAIHVWJYUSG-UHFFFAOYSA-N
XLogP0.78
TPSA53.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[(2R,4R)-4-hydroxypyrrolidin-2-yl]methanone
CID 124689770
2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline
CID 14660144
2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetyl chloride
CID 142769161
6,7-dimethoxy-2-pentyl-3,4-dihydro-1H-isoquinoline
CID 22673
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl-trimethylsilane
CID 10085031
6,7-dimethoxy-2-[(E)-2-methylbut-2-enyl]-3,4-dihydro-1H-isoquinoline
CID 783060
1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butan-2-ol
CID 60885340
2-(4-chlorobut-2-enyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline
CID 77051892
3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-amine;dihydrochloride
CID 23111955
2-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline
CID 1377255
6,7-dimethoxy-2-(2-piperidin-4-ylethyl)-3,4-dihydro-1H-isoquinoline;hydrochloride
CID 120663402
N-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]butan-1-amine
CID 62573755

Frequently Asked Questions

What is the IUPAC name of 5-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]pyrrolidin-3-ol?
The IUPAC name of 5-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]pyrrolidin-3-ol (CID 66057340) is 5-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]pyrrolidin-3-ol.
What is the SMILES notation for 5-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]pyrrolidin-3-ol?
The canonical SMILES for 5-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]pyrrolidin-3-ol is COc1cc2c(cc1OC)CN(CC1CC(O)CN1)CC2.
What is the InChIKey of 5-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]pyrrolidin-3-ol?
The InChIKey is GLSRAIHVWJYUSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-20-15-5-11-3-4-18(9-12(11)6-16(15)21-2)10-13-7-14(19)8-17-13/h5-6,13-14,17,19H,3-4,7-10H2,1-2H3.
What are the key properties of 5-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]pyrrolidin-3-ol?
5-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]pyrrolidin-3-ol has a molecular weight of 292.38 g/mol, XLogP of 0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 66057340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).