(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[(2R,4R)-4-hydroxypyrrolidin-2-yl]methanone

C16H22N2O4 — CID 124689770

IUPAC(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[(2R,4R)-4-hydroxypyrrolidin-2-yl]methanone
SMILESCOc1cc2c(cc1OC)CN(C(=O)[C@H]1C[C@@H](O)CN1)CC2
InChIInChI=1S/C16H22N2O4/c1-21-14-5-10-3-4-18(9-11(10)6-15(14)22-2)16(20)13-7-12(19)8-17-13/h5-6,12-13,17,19H,3-4,7-9H2,1-2H3/t12-,13-/m1/s1
InChIKeyFNUMAPYUXRTKOO-CHWSQXEVSA-N
MW306.36 g/mol
LogP0.31
Rot. Bonds3

About (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[(2R,4R)-4-hydroxypyrrolidin-2-yl]methanone

(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[(2R,4R)-4-hydroxypyrrolidin-2-yl]methanone (PubChem CID 124689770) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[(2R,4R)-4-hydroxypyrrolidin-2-yl]methanone.

Molecular Properties

Compound Name(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[(2R,4R)-4-hydroxypyrrolidin-2-yl]methanone
PubChem CID124689770
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC Name(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[(2R,4R)-4-hydroxypyrrolidin-2-yl]methanone
SMILESCOc1cc2c(cc1OC)CN(C(=O)[C@H]1C[C@@H](O)CN1)CC2
InChIInChI=1S/C16H22N2O4/c1-21-14-5-10-3-4-18(9-11(10)6-15(14)22-2)16(20)13-7-12(19)8-17-13/h5-6,12-13,17,19H,3-4,7-9H2,1-2H3/t12-,13-/m1/s1
InChIKeyFNUMAPYUXRTKOO-CHWSQXEVSA-N
XLogP0.31
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[(2R,4R)-4-hydroxypyrrolidin-2-yl]methanone with MolForge

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Related Compounds

5-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrrolidin-2-one
CID 110689690
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[(2R)-piperidin-2-yl]methanone;hydrochloride
CID 119679753
5-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]pyrrolidin-3-ol
CID 66057340
[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)cyclopropyl]-morpholin-4-ylmethanone
CID 109133328
[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)cyclopropyl]-(4-methylpiperidin-1-yl)methanone
CID 109132617
methyl 6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 14249080
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[(3R,4R)-4-hydroxy-1-methylpiperidin-3-yl]methanone
CID 163317201
(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-(4-hydroxypyrrolidin-2-yl)methanone
CID 119779113
2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)cyclohexane-1-carboxylic acid
CID 132590660
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone
CID 55712640
[(2R,4R)-4-hydroxypyrrolidin-2-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 125118026
(2-aminocyclopentyl)-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone;hydrochloride
CID 119679759

Frequently Asked Questions

What is the IUPAC name of (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[(2R,4R)-4-hydroxypyrrolidin-2-yl]methanone?
The IUPAC name of (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[(2R,4R)-4-hydroxypyrrolidin-2-yl]methanone (CID 124689770) is (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[(2R,4R)-4-hydroxypyrrolidin-2-yl]methanone.
What is the SMILES notation for (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[(2R,4R)-4-hydroxypyrrolidin-2-yl]methanone?
The canonical SMILES for (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[(2R,4R)-4-hydroxypyrrolidin-2-yl]methanone is COc1cc2c(cc1OC)CN(C(=O)[C@H]1C[C@@H](O)CN1)CC2.
What is the InChIKey of (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[(2R,4R)-4-hydroxypyrrolidin-2-yl]methanone?
The InChIKey is FNUMAPYUXRTKOO-CHWSQXEVSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-21-14-5-10-3-4-18(9-11(10)6-15(14)22-2)16(20)13-7-12(19)8-17-13/h5-6,12-13,17,19H,3-4,7-9H2,1-2H3/t12-,13-/m1/s1.
What are the key properties of (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[(2R,4R)-4-hydroxypyrrolidin-2-yl]methanone?
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[(2R,4R)-4-hydroxypyrrolidin-2-yl]methanone has a molecular weight of 306.36 g/mol, XLogP of 0.31, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[(2R,4R)-4-hydroxypyrrolidin-2-yl]methanone is sourced from PubChem (CID 124689770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).