2-[(1S)-6-hydroxy-7-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]-1-(2-methyl-1H-indol-3-yl)ethanone

C22H24N2O3 — CID 6351542

IUPAC2-[(1S)-6-hydroxy-7-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]-1-(2-methyl-1H-indol-3-yl)ethanone
SMILESCOc1cc2c(cc1O)CCN(CC(=O)c1c(C)[nH]c3ccccc13)[C@H]2C
InChIInChI=1S/C22H24N2O3/c1-13-22(16-6-4-5-7-18(16)23-13)20(26)12-24-9-8-15-10-19(25)21(27-3)11-17(15)14(24)2/h4-7,10-11,14,23,25H,8-9,12H2,1-3H3/t14-/m0/s1
InChIKeyUIDIDRUAVRZRAM-AWEZNQCLSA-N
MW364.45 g/mol
LogP3.99
Rot. Bonds4

About 2-[(1S)-6-hydroxy-7-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]-1-(2-methyl-1H-indol-3-yl)ethanone

2-[(1S)-6-hydroxy-7-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]-1-(2-methyl-1H-indol-3-yl)ethanone (PubChem CID 6351542) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is 2-[(1S)-6-hydroxy-7-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]-1-(2-methyl-1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name2-[(1S)-6-hydroxy-7-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]-1-(2-methyl-1H-indol-3-yl)ethanone
PubChem CID6351542
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC Name2-[(1S)-6-hydroxy-7-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]-1-(2-methyl-1H-indol-3-yl)ethanone
SMILESCOc1cc2c(cc1O)CCN(CC(=O)c1c(C)[nH]c3ccccc13)[C@H]2C
InChIInChI=1S/C22H24N2O3/c1-13-22(16-6-4-5-7-18(16)23-13)20(26)12-24-9-8-15-10-19(25)21(27-3)11-17(15)14(24)2/h4-7,10-11,14,23,25H,8-9,12H2,1-3H3/t14-/m0/s1
InChIKeyUIDIDRUAVRZRAM-AWEZNQCLSA-N
XLogP3.99
TPSA65.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1S)-6-hydroxy-7-methoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]-1-(2-methyl-1H-indol-3-yl)ethanone
CID 6569772
1-(2-methyl-1H-indol-3-yl)-2-[(2R)-2-methylpiperidin-1-yl]ethanone
CID 920121
2-[[(1R)-2-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]-3,4-dihydro-1H-isoquinolin-1-yl]methyl]isoindole-1,3-dione
CID 2005939
2-(6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)acetic acid
CID 3130309
2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-1-(2-methyl-1H-indol-3-yl)ethanone
CID 110935930
1-(2-methyl-1H-indol-3-yl)-2-thiomorpholin-4-ylethanone
CID 659447
2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-1-(2-methyl-1H-indol-3-yl)ethanone chloride
CID 44659793
1-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]pyrrolidine-2,5-dione
CID 7819513
2-[(2S)-2-ethylpiperidin-1-yl]-1-(2-methyl-1H-indol-3-yl)ethanone
CID 919474
2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-1-(2-methyl-1H-indol-3-yl)ethanone
CID 18125090
(1R)-2-(1,3-benzodioxol-5-ylmethyl)-7-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-6-ol
CID 163032541
1-(2-methyl-1H-indol-3-yl)-2-morpholin-4-ylethanone
CID 718235

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-6-hydroxy-7-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]-1-(2-methyl-1H-indol-3-yl)ethanone?
The IUPAC name of 2-[(1S)-6-hydroxy-7-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]-1-(2-methyl-1H-indol-3-yl)ethanone (CID 6351542) is 2-[(1S)-6-hydroxy-7-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]-1-(2-methyl-1H-indol-3-yl)ethanone.
What is the SMILES notation for 2-[(1S)-6-hydroxy-7-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]-1-(2-methyl-1H-indol-3-yl)ethanone?
The canonical SMILES for 2-[(1S)-6-hydroxy-7-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]-1-(2-methyl-1H-indol-3-yl)ethanone is COc1cc2c(cc1O)CCN(CC(=O)c1c(C)[nH]c3ccccc13)[C@H]2C.
What is the InChIKey of 2-[(1S)-6-hydroxy-7-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]-1-(2-methyl-1H-indol-3-yl)ethanone?
The InChIKey is UIDIDRUAVRZRAM-AWEZNQCLSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-13-22(16-6-4-5-7-18(16)23-13)20(26)12-24-9-8-15-10-19(25)21(27-3)11-17(15)14(24)2/h4-7,10-11,14,23,25H,8-9,12H2,1-3H3/t14-/m0/s1.
What are the key properties of 2-[(1S)-6-hydroxy-7-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]-1-(2-methyl-1H-indol-3-yl)ethanone?
2-[(1S)-6-hydroxy-7-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]-1-(2-methyl-1H-indol-3-yl)ethanone has a molecular weight of 364.45 g/mol, XLogP of 3.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-6-hydroxy-7-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]-1-(2-methyl-1H-indol-3-yl)ethanone is sourced from PubChem (CID 6351542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).