3-(3,4-dimethoxyphenyl)-2-phenyl-3,4-dihydroisoquinolin-1-one

C23H21NO3 — CID 176893532

IUPAC3-(3,4-dimethoxyphenyl)-2-phenyl-3,4-dihydroisoquinolin-1-one
SMILESCOc1ccc(C2Cc3ccccc3C(=O)N2c2ccccc2)cc1OC
InChIInChI=1S/C23H21NO3/c1-26-21-13-12-17(15-22(21)27-2)20-14-16-8-6-7-11-19(16)23(25)24(20)18-9-4-3-5-10-18/h3-13,15,20H,14H2,1-2H3
InChIKeyFIAAHRNJMODRMU-UHFFFAOYSA-N
MW359.43 g/mol
LogP4.65
Rot. Bonds4

About 3-(3,4-dimethoxyphenyl)-2-phenyl-3,4-dihydroisoquinolin-1-one

3-(3,4-dimethoxyphenyl)-2-phenyl-3,4-dihydroisoquinolin-1-one (PubChem CID 176893532) has the molecular formula C23H21NO3 and a molecular weight of 359.43 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-2-phenyl-3,4-dihydroisoquinolin-1-one.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-2-phenyl-3,4-dihydroisoquinolin-1-one
PubChem CID176893532
Molecular FormulaC23H21NO3
Molecular Weight359.43 g/mol
Exact Mass359.15
IUPAC Name3-(3,4-dimethoxyphenyl)-2-phenyl-3,4-dihydroisoquinolin-1-one
SMILESCOc1ccc(C2Cc3ccccc3C(=O)N2c2ccccc2)cc1OC
InChIInChI=1S/C23H21NO3/c1-26-21-13-12-17(15-22(21)27-2)20-14-16-8-6-7-11-19(16)23(25)24(20)18-9-4-3-5-10-18/h3-13,15,20H,14H2,1-2H3
InChIKeyFIAAHRNJMODRMU-UHFFFAOYSA-N
XLogP4.65
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dimethoxyphenyl)-1-phenylaziridine
CID 10682448
(13aR)-2,3-dimethoxy-5,6,13,13a-tetrahydroisoquinolino[2,1-b]isoquinolin-8-one
CID 821470
(3R)-3-[(1S)-1-(3,4-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-1-phenylpyrrolidine-2,5-dione
CID 1378154
(2S)-2-[3-(difluoromethoxy)-4-methoxyphenyl]-3-phenyl-1,2-dihydroquinazolin-4-one
CID 9006981
(5R)-5-(3,4-dimethoxyphenyl)-4-[hydroxy(phenyl)methylidene]-1-phenylpyrrolidine-2,3-dione
CID 1108822
2-(2,2-diethoxyethyl)-3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-1-one
CID 10917510
3-(3,4-dimethoxyphenyl)-2-(3-methylimidazo[1,2-a]pyridin-7-yl)-3H-isoindol-1-one
CID 67117357
2-[3-(2,3-dihydro-1H-inden-2-yloxy)-4-methoxyphenyl]-3-ethenyl-3H-isoindol-1-one
CID 142627953
methyl 2-[(2R,3S)-2-(3,4-dimethoxyphenyl)-3-(1,3-dioxoisoindol-2-yl)-4-oxoazetidin-1-yl]acetate
CID 101189030
(3S)-3-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole
CID 7380769
(2S)-2-(3,4-dimethoxyphenyl)-1,3-dimethyl-2H-quinazolin-4-one
CID 7386974
3-(cyclopropylmethyl)-2-[3-(2,3-dihydro-1H-inden-2-yloxy)-4-methoxyphenyl]-3H-isoindol-1-one
CID 57121512

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-2-phenyl-3,4-dihydroisoquinolin-1-one?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-2-phenyl-3,4-dihydroisoquinolin-1-one (CID 176893532) is 3-(3,4-dimethoxyphenyl)-2-phenyl-3,4-dihydroisoquinolin-1-one.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-2-phenyl-3,4-dihydroisoquinolin-1-one?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-2-phenyl-3,4-dihydroisoquinolin-1-one is COc1ccc(C2Cc3ccccc3C(=O)N2c2ccccc2)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-2-phenyl-3,4-dihydroisoquinolin-1-one?
The InChIKey is FIAAHRNJMODRMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO3/c1-26-21-13-12-17(15-22(21)27-2)20-14-16-8-6-7-11-19(16)23(25)24(20)18-9-4-3-5-10-18/h3-13,15,20H,14H2,1-2H3.
What are the key properties of 3-(3,4-dimethoxyphenyl)-2-phenyl-3,4-dihydroisoquinolin-1-one?
3-(3,4-dimethoxyphenyl)-2-phenyl-3,4-dihydroisoquinolin-1-one has a molecular weight of 359.43 g/mol, XLogP of 4.65, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-2-phenyl-3,4-dihydroisoquinolin-1-one is sourced from PubChem (CID 176893532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).