[6-methoxy-1-[(4-methoxyphenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-phenylmethanone

C25H25NO4 — CID 46866051

IUPAC[6-methoxy-1-[(4-methoxyphenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-phenylmethanone
SMILESCOc1ccc(OCC2c3ccc(OC)cc3CCN2C(=O)c2ccccc2)cc1
InChIInChI=1S/C25H25NO4/c1-28-20-8-10-21(11-9-20)30-17-24-23-13-12-22(29-2)16-19(23)14-15-26(24)25(27)18-6-4-3-5-7-18/h3-13,16,24H,14-15,17H2,1-2H3
InChIKeyOMTJSZYECVWDBU-UHFFFAOYSA-N
MW403.48 g/mol
LogP4.52
Rot. Bonds6

About [6-methoxy-1-[(4-methoxyphenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-phenylmethanone

[6-methoxy-1-[(4-methoxyphenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-phenylmethanone (PubChem CID 46866051) has the molecular formula C25H25NO4 and a molecular weight of 403.48 g/mol. Its IUPAC name is [6-methoxy-1-[(4-methoxyphenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-phenylmethanone.

Molecular Properties

Compound Name[6-methoxy-1-[(4-methoxyphenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-phenylmethanone
PubChem CID46866051
Molecular FormulaC25H25NO4
Molecular Weight403.48 g/mol
Exact Mass403.18
IUPAC Name[6-methoxy-1-[(4-methoxyphenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-phenylmethanone
SMILESCOc1ccc(OCC2c3ccc(OC)cc3CCN2C(=O)c2ccccc2)cc1
InChIInChI=1S/C25H25NO4/c1-28-20-8-10-21(11-9-20)30-17-24-23-13-12-22(29-2)16-19(23)14-15-26(24)25(27)18-6-4-3-5-7-18/h3-13,16,24H,14-15,17H2,1-2H3
InChIKeyOMTJSZYECVWDBU-UHFFFAOYSA-N
XLogP4.52
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [6-methoxy-1-[(4-methoxyphenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-phenylmethanone with MolForge

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Related Compounds

Fvxapsutpgihsl-uhfffaoysa-
CID 10740054
(3-chlorophenyl)(6,7-dimethoxy-1-((4-methoxyphenoxy)methyl)-3,4-dihydroisoquinolin-2(1H)-yl)methanone
CID 4231127
1H-Xantheno(2,1,9-def)isoquinoline-1,3(2H)-dione, 2-(2-hydroxypropyl)-9-methoxy-
CID 21156136
Methyl 4-((2-(cyclopropanecarbonyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)methoxy)benzoate
CID 3239725
[3-(4-Methoxyphenyl)phenyl]-morpholin-4-ylmethanone
CID 1104784
2-Benzyl-5-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]-3,4-dihydroisoquinolin-1-one
CID 2151990
2-(4-acetyl-2-methoxyphenoxy)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 2536503
(2,6-Dimethylmorpholin-4-yl)-(4-phenoxyphenyl)methanone
CID 4883241
(4-methoxyphenyl)(7-methyl-3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)methanone
CID 16405434
4-{4-[(4-Ethoxyphenoxy)methyl]benzoyl}morpholine
CID 1231797
4-Ethoxy-N-isochroman-1-ylmethyl-benzamide
CID 2881073
(6,7-dimethoxy-1-phenyl-3,4-dihydroisoquinolin-2(1H)-yl)(2-fluorophenyl)methanone
CID 3652381

Frequently Asked Questions

What is the IUPAC name of [6-methoxy-1-[(4-methoxyphenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-phenylmethanone?
The IUPAC name of [6-methoxy-1-[(4-methoxyphenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-phenylmethanone (CID 46866051) is [6-methoxy-1-[(4-methoxyphenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-phenylmethanone.
What is the SMILES notation for [6-methoxy-1-[(4-methoxyphenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-phenylmethanone?
The canonical SMILES for [6-methoxy-1-[(4-methoxyphenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-phenylmethanone is COc1ccc(OCC2c3ccc(OC)cc3CCN2C(=O)c2ccccc2)cc1.
What is the InChIKey of [6-methoxy-1-[(4-methoxyphenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-phenylmethanone?
The InChIKey is OMTJSZYECVWDBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO4/c1-28-20-8-10-21(11-9-20)30-17-24-23-13-12-22(29-2)16-19(23)14-15-26(24)25(27)18-6-4-3-5-7-18/h3-13,16,24H,14-15,17H2,1-2H3.
What are the key properties of [6-methoxy-1-[(4-methoxyphenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-phenylmethanone?
[6-methoxy-1-[(4-methoxyphenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-phenylmethanone has a molecular weight of 403.48 g/mol, XLogP of 4.52, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methoxy-1-[(4-methoxyphenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-phenylmethanone is sourced from PubChem (CID 46866051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).