5-[(2,3-dimethoxyphenyl)methoxy]-2-methyl-3,4-dihydroisoquinolin-1-one

C19H21NO4 — CID 156892023

IUPAC5-[(2,3-dimethoxyphenyl)methoxy]-2-methyl-3,4-dihydroisoquinolin-1-one
SMILESCOc1cccc(COc2cccc3c2CCN(C)C3=O)c1OC
InChIInChI=1S/C19H21NO4/c1-20-11-10-14-15(19(20)21)7-5-8-16(14)24-12-13-6-4-9-17(22-2)18(13)23-3/h4-9H,10-12H2,1-3H3
InChIKeySMIJIXOUPQVWIK-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.91
Rot. Bonds5

About 5-[(2,3-dimethoxyphenyl)methoxy]-2-methyl-3,4-dihydroisoquinolin-1-one

5-[(2,3-dimethoxyphenyl)methoxy]-2-methyl-3,4-dihydroisoquinolin-1-one (PubChem CID 156892023) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is 5-[(2,3-dimethoxyphenyl)methoxy]-2-methyl-3,4-dihydroisoquinolin-1-one.

Molecular Properties

Compound Name5-[(2,3-dimethoxyphenyl)methoxy]-2-methyl-3,4-dihydroisoquinolin-1-one
PubChem CID156892023
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name5-[(2,3-dimethoxyphenyl)methoxy]-2-methyl-3,4-dihydroisoquinolin-1-one
SMILESCOc1cccc(COc2cccc3c2CCN(C)C3=O)c1OC
InChIInChI=1S/C19H21NO4/c1-20-11-10-14-15(19(20)21)7-5-8-16(14)24-12-13-6-4-9-17(22-2)18(13)23-3/h4-9H,10-12H2,1-3H3
InChIKeySMIJIXOUPQVWIK-UHFFFAOYSA-N
XLogP2.91
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[2-chloro-3-(trifluoromethyl)phenyl]methoxy]-2-methyl-3,4-dihydroisoquinolin-1-one
CID 156892072
2-methyl-5-propoxy-3,4-dihydroisoquinolin-1-one
CID 3375106
2-methyl-5-[[4-(trifluoromethoxy)phenyl]methoxy]-3,4-dihydroisoquinolin-1-one
CID 156892030
4-[(2-fluoro-3-methoxyphenyl)methoxy]-2,3-dihydroinden-1-one
CID 104792196
2-fluoro-4-[(2-methyl-1-oxo-3,4-dihydroisoquinolin-5-yl)oxymethyl]benzonitrile
CID 156892063
8,9-bis[(2,3-dimethoxyphenyl)methoxy]-4-ethyl-5-methyl-6H-phenanthridine
CID 118954387
2-methyl-5-[(1S)-1-phenylethoxy]-3,4-dihydroisoquinolin-1-one
CID 2151919
2-[(2-methylphenyl)methyl]-5-phenylmethoxy-3,4-dihydroisoquinolin-1-one
CID 2152225
5-amino-2-methyl-3,4-dihydroisoquinolin-1-one
CID 14171272
4-[(2,4-dichlorophenyl)methoxy]-2-methyl-3H-isoindol-1-one
CID 156892033
2-[7-[(2-fluoro-3-methoxyphenyl)methoxy]-3-oxo-1H-isoindol-2-yl]-N-methylacetamide
CID 145070230
4-[(4-chlorophenyl)methoxy]-2-methyl-3H-isoindol-1-one
CID 156892057

Frequently Asked Questions

What is the IUPAC name of 5-[(2,3-dimethoxyphenyl)methoxy]-2-methyl-3,4-dihydroisoquinolin-1-one?
The IUPAC name of 5-[(2,3-dimethoxyphenyl)methoxy]-2-methyl-3,4-dihydroisoquinolin-1-one (CID 156892023) is 5-[(2,3-dimethoxyphenyl)methoxy]-2-methyl-3,4-dihydroisoquinolin-1-one.
What is the SMILES notation for 5-[(2,3-dimethoxyphenyl)methoxy]-2-methyl-3,4-dihydroisoquinolin-1-one?
The canonical SMILES for 5-[(2,3-dimethoxyphenyl)methoxy]-2-methyl-3,4-dihydroisoquinolin-1-one is COc1cccc(COc2cccc3c2CCN(C)C3=O)c1OC.
What is the InChIKey of 5-[(2,3-dimethoxyphenyl)methoxy]-2-methyl-3,4-dihydroisoquinolin-1-one?
The InChIKey is SMIJIXOUPQVWIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-20-11-10-14-15(19(20)21)7-5-8-16(14)24-12-13-6-4-9-17(22-2)18(13)23-3/h4-9H,10-12H2,1-3H3.
What are the key properties of 5-[(2,3-dimethoxyphenyl)methoxy]-2-methyl-3,4-dihydroisoquinolin-1-one?
5-[(2,3-dimethoxyphenyl)methoxy]-2-methyl-3,4-dihydroisoquinolin-1-one has a molecular weight of 327.38 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,3-dimethoxyphenyl)methoxy]-2-methyl-3,4-dihydroisoquinolin-1-one is sourced from PubChem (CID 156892023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).