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

C25H24BrNO4 — CID 46866462

IUPAC(3-bromophenyl)-[6-methoxy-1-[(4-methoxyphenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]methanone
SMILESCOc1ccc(OCC2c3ccc(OC)cc3CCN2C(=O)c2cccc(Br)c2)cc1
InChIInChI=1S/C25H24BrNO4/c1-29-20-6-8-21(9-7-20)31-16-24-23-11-10-22(30-2)15-17(23)12-13-27(24)25(28)18-4-3-5-19(26)14-18/h3-11,14-15,24H,12-13,16H2,1-2H3
InChIKeyGOAPYAIQLPLYJU-UHFFFAOYSA-N
MW482.37 g/mol
LogP5.28
Rot. Bonds6

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

(3-bromophenyl)-[6-methoxy-1-[(4-methoxyphenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]methanone (PubChem CID 46866462) has the molecular formula C25H24BrNO4 and a molecular weight of 482.37 g/mol. Its IUPAC name is (3-bromophenyl)-[6-methoxy-1-[(4-methoxyphenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]methanone.

Molecular Properties

Compound Name(3-bromophenyl)-[6-methoxy-1-[(4-methoxyphenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]methanone
PubChem CID46866462
Molecular FormulaC25H24BrNO4
Molecular Weight482.37 g/mol
Exact Mass481.09
IUPAC Name(3-bromophenyl)-[6-methoxy-1-[(4-methoxyphenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]methanone
SMILESCOc1ccc(OCC2c3ccc(OC)cc3CCN2C(=O)c2cccc(Br)c2)cc1
InChIInChI=1S/C25H24BrNO4/c1-29-20-6-8-21(9-7-20)31-16-24-23-11-10-22(30-2)15-17(23)12-13-27(24)25(28)18-4-3-5-19(26)14-18/h3-11,14-15,24H,12-13,16H2,1-2H3
InChIKeyGOAPYAIQLPLYJU-UHFFFAOYSA-N
XLogP5.28
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.37
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-bromophenyl)(6,7-dimethoxy-1-((4-methoxyphenoxy)methyl)-3,4-dihydroisoquinolin-2(1H)-yl)methanone
CID 4346906
{6-Hydroxy-1-[4-(2-pyrrolidin-1-yl-ethoxy)phenyl]-3,4-dihydro-1H-isoquinolin-2-yl}-phenylmethanone
CID 12085942
(3-chlorophenyl)-[6-methoxy-1-[(4-methoxyphenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 46843347
1-(6,7-dimethoxy-1-((4-methoxyphenoxy)methyl)-3,4-dihydroisoquinolin-2(1H)-yl)-2-(4-methoxyphenyl)ethanone
CID 4293128
(2,6-difluorophenyl)(6,7-dimethoxy-1-((4-methoxyphenoxy)methyl)-3,4-dihydroisoquinolin-2(1H)-yl)methanone
CID 4643310
(6,7-dimethoxy-1-((2-methoxyphenoxy)methyl)-3,4-dihydroisoquinolin-2(1H)-yl)(4-methoxyphenyl)methanone
CID 5197267
(4-bromophenyl)(7-methyl-3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)methanone
CID 17580152
[1-[(4-methoxyphenoxy)methyl]-6-phenylmethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-phenylmethanone
CID 71745862
(3-chlorophenyl)-[1-[(4-methoxyphenoxy)methyl]-6-phenylmethoxy-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 71745863
(3-bromophenyl)-[1-[(4-methoxyphenoxy)methyl]-6-phenylmethoxy-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 71746034
(3-bromophenyl)-[1-[(4-methoxyphenoxy)methyl]-6,7-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 71746590
(3-chlorophenyl)-[(1R)-1-[(4-methoxyphenoxy)methyl]-6-propan-2-yloxy-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 91668211

Frequently Asked Questions

What is the IUPAC name of (3-bromophenyl)-[6-methoxy-1-[(4-methoxyphenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]methanone?
The IUPAC name of (3-bromophenyl)-[6-methoxy-1-[(4-methoxyphenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]methanone (CID 46866462) is (3-bromophenyl)-[6-methoxy-1-[(4-methoxyphenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]methanone.
What is the SMILES notation for (3-bromophenyl)-[6-methoxy-1-[(4-methoxyphenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]methanone?
The canonical SMILES for (3-bromophenyl)-[6-methoxy-1-[(4-methoxyphenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]methanone is COc1ccc(OCC2c3ccc(OC)cc3CCN2C(=O)c2cccc(Br)c2)cc1.
What is the InChIKey of (3-bromophenyl)-[6-methoxy-1-[(4-methoxyphenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]methanone?
The InChIKey is GOAPYAIQLPLYJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24BrNO4/c1-29-20-6-8-21(9-7-20)31-16-24-23-11-10-22(30-2)15-17(23)12-13-27(24)25(28)18-4-3-5-19(26)14-18/h3-11,14-15,24H,12-13,16H2,1-2H3.
What are the key properties of (3-bromophenyl)-[6-methoxy-1-[(4-methoxyphenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]methanone?
(3-bromophenyl)-[6-methoxy-1-[(4-methoxyphenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]methanone has a molecular weight of 482.37 g/mol, XLogP of 5.28, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromophenyl)-[6-methoxy-1-[(4-methoxyphenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]methanone is sourced from PubChem (CID 46866462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).