2-benzyl-7-methoxy-8-phenyl-3,4-dihydroisoquinolin-1-one

C23H21NO2 — CID 23344332

IUPAC2-benzyl-7-methoxy-8-phenyl-3,4-dihydroisoquinolin-1-one
SMILESCOc1ccc2c(c1-c1ccccc1)C(=O)N(Cc1ccccc1)CC2
InChIInChI=1S/C23H21NO2/c1-26-20-13-12-19-14-15-24(16-17-8-4-2-5-9-17)23(25)22(19)21(20)18-10-6-3-7-11-18/h2-13H,14-16H2,1H3
InChIKeyPUQQKIZXYJHNCH-UHFFFAOYSA-N
MW343.43 g/mol
LogP4.56
Rot. Bonds4

About 2-benzyl-7-methoxy-8-phenyl-3,4-dihydroisoquinolin-1-one

2-benzyl-7-methoxy-8-phenyl-3,4-dihydroisoquinolin-1-one (PubChem CID 23344332) has the molecular formula C23H21NO2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 2-benzyl-7-methoxy-8-phenyl-3,4-dihydroisoquinolin-1-one.

Molecular Properties

Compound Name2-benzyl-7-methoxy-8-phenyl-3,4-dihydroisoquinolin-1-one
PubChem CID23344332
Molecular FormulaC23H21NO2
Molecular Weight343.43 g/mol
Exact Mass343.16
IUPAC Name2-benzyl-7-methoxy-8-phenyl-3,4-dihydroisoquinolin-1-one
SMILESCOc1ccc2c(c1-c1ccccc1)C(=O)N(Cc1ccccc1)CC2
InChIInChI=1S/C23H21NO2/c1-26-20-13-12-19-14-15-24(16-17-8-4-2-5-9-17)23(25)22(19)21(20)18-10-6-3-7-11-18/h2-13H,14-16H2,1H3
InChIKeyPUQQKIZXYJHNCH-UHFFFAOYSA-N
XLogP4.56
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-benzyl-7-bromo-8-chloro-3,4-dihydroisoquinolin-1-one
CID 166465199
6-bromo-8-methoxy-2-(pyridin-4-ylmethyl)-3,4-dihydroisoquinolin-1-one
CID 178067555
2-benzyl-6-methyl-3,4-dihydroisoquinolin-1-one
CID 58318227
2-[(4-chlorophenyl)methyl]-5-methoxy-3,4-dihydroisoquinolin-1-one
CID 4054509
2-[(3-chlorophenyl)methyl]-6,7-dimethoxy-3H-isoindol-1-one
CID 25197263
1-[(4-methoxy-3-phenylphenyl)methyl]pyrrolidin-2-one
CID 58020328
2-[2-(3,4-dimethoxyphenyl)ethyl]-3,4-dihydroisoquinolin-1-one
CID 10859894
8-chloro-7-(difluoromethoxy)-2-[(4,6-dimethyl-2-phenylmethoxy-3-pyridinyl)methyl]-3,4-dihydroisoquinolin-1-one
CID 86723705
7-iodo-2-[(2-methoxyphenyl)methyl]-3,4-dihydroisoquinolin-1-one
CID 79781443
1-benzyl-5-(4-methoxyphenyl)-6-methyl-2,3-dihydropyridin-4-one
CID 71514150
1-benzyl-3-(2,2,2-trifluoroethylidene)pyrrolidin-2-one
CID 175181387
bis(7-methoxy-2-methyl-8-phenyl-3,4-dihydro-1H-isoquinolin-1-yl) (Z)-but-2-enedioate
CID 70596178

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-7-methoxy-8-phenyl-3,4-dihydroisoquinolin-1-one?
The IUPAC name of 2-benzyl-7-methoxy-8-phenyl-3,4-dihydroisoquinolin-1-one (CID 23344332) is 2-benzyl-7-methoxy-8-phenyl-3,4-dihydroisoquinolin-1-one.
What is the SMILES notation for 2-benzyl-7-methoxy-8-phenyl-3,4-dihydroisoquinolin-1-one?
The canonical SMILES for 2-benzyl-7-methoxy-8-phenyl-3,4-dihydroisoquinolin-1-one is COc1ccc2c(c1-c1ccccc1)C(=O)N(Cc1ccccc1)CC2.
What is the InChIKey of 2-benzyl-7-methoxy-8-phenyl-3,4-dihydroisoquinolin-1-one?
The InChIKey is PUQQKIZXYJHNCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO2/c1-26-20-13-12-19-14-15-24(16-17-8-4-2-5-9-17)23(25)22(19)21(20)18-10-6-3-7-11-18/h2-13H,14-16H2,1H3.
What are the key properties of 2-benzyl-7-methoxy-8-phenyl-3,4-dihydroisoquinolin-1-one?
2-benzyl-7-methoxy-8-phenyl-3,4-dihydroisoquinolin-1-one has a molecular weight of 343.43 g/mol, XLogP of 4.56, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-7-methoxy-8-phenyl-3,4-dihydroisoquinolin-1-one is sourced from PubChem (CID 23344332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).