(2-bromophenyl)-(7-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone

C18H18BrNO2 — CID 110289200

IUPAC(2-bromophenyl)-(7-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
SMILESCOc1ccc2c(c1)C(C)N(C(=O)c1ccccc1Br)CC2
InChIInChI=1S/C18H18BrNO2/c1-12-16-11-14(22-2)8-7-13(16)9-10-20(12)18(21)15-5-3-4-6-17(15)19/h3-8,11-12H,9-10H2,1-2H3
InChIKeyZPYSNKGWAATPBQ-UHFFFAOYSA-N
MW360.25 g/mol
LogP4.22
Rot. Bonds2

About (2-bromophenyl)-(7-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone

(2-bromophenyl)-(7-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone (PubChem CID 110289200) has the molecular formula C18H18BrNO2 and a molecular weight of 360.25 g/mol. Its IUPAC name is (2-bromophenyl)-(7-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone.

Molecular Properties

Compound Name(2-bromophenyl)-(7-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
PubChem CID110289200
Molecular FormulaC18H18BrNO2
Molecular Weight360.25 g/mol
Exact Mass359.05
IUPAC Name(2-bromophenyl)-(7-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
SMILESCOc1ccc2c(c1)C(C)N(C(=O)c1ccccc1Br)CC2
InChIInChI=1S/C18H18BrNO2/c1-12-16-11-14(22-2)8-7-13(16)9-10-20(12)18(21)15-5-3-4-6-17(15)19/h3-8,11-12H,9-10H2,1-2H3
InChIKeyZPYSNKGWAATPBQ-UHFFFAOYSA-N
XLogP4.22
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.25
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-fluorophenyl)-(7-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 110289197
(2-bromophenyl)-[(1S)-6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 7660284
(7-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(2,3,4-trifluorophenyl)methanone
CID 110289237
(2-chlorophenyl)-(6-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 110314259
1-(7-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-phenoxyethanone
CID 110289217
(7-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 110313518
(7-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanone
CID 110307949
4-(7-methoxy-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)-N,N-dimethylbenzenesulfonamide
CID 110289221
[4-(2-hydroxyethylsulfanyl)phenyl]-[(1R)-7-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 125171056
2-cyclopentyl-1-(7-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one
CID 110354362
(3,5-dimethoxyphenyl)-(6-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 110314237
(1R)-2-(2-hydroxy-5-methoxybenzoyl)-3,4-dihydro-1H-isoquinoline-1-carboxylic acid
CID 97314606

Frequently Asked Questions

What is the IUPAC name of (2-bromophenyl)-(7-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The IUPAC name of (2-bromophenyl)-(7-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone (CID 110289200) is (2-bromophenyl)-(7-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone.
What is the SMILES notation for (2-bromophenyl)-(7-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The canonical SMILES for (2-bromophenyl)-(7-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone is COc1ccc2c(c1)C(C)N(C(=O)c1ccccc1Br)CC2.
What is the InChIKey of (2-bromophenyl)-(7-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The InChIKey is ZPYSNKGWAATPBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrNO2/c1-12-16-11-14(22-2)8-7-13(16)9-10-20(12)18(21)15-5-3-4-6-17(15)19/h3-8,11-12H,9-10H2,1-2H3.
What are the key properties of (2-bromophenyl)-(7-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone?
(2-bromophenyl)-(7-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone has a molecular weight of 360.25 g/mol, XLogP of 4.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromophenyl)-(7-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone is sourced from PubChem (CID 110289200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).