3-(2-methoxyphenyl)-4-(3-methoxyphenyl)-2H-isoquinolin-1-one

C23H19NO3 — CID 142740491

IUPAC3-(2-methoxyphenyl)-4-(3-methoxyphenyl)-2H-isoquinolin-1-one
SMILESCOc1cccc(-c2c(-c3ccccc3OC)[nH]c(=O)c3ccccc23)c1
InChIInChI=1S/C23H19NO3/c1-26-16-9-7-8-15(14-16)21-17-10-3-4-11-18(17)23(25)24-22(21)19-12-5-6-13-20(19)27-2/h3-14H,1-2H3,(H,24,25)
InChIKeyBLZAZZNIBBYCMY-UHFFFAOYSA-N
MW357.41 g/mol
LogP4.88
Rot. Bonds4

About 3-(2-methoxyphenyl)-4-(3-methoxyphenyl)-2H-isoquinolin-1-one

3-(2-methoxyphenyl)-4-(3-methoxyphenyl)-2H-isoquinolin-1-one (PubChem CID 142740491) has the molecular formula C23H19NO3 and a molecular weight of 357.41 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-4-(3-methoxyphenyl)-2H-isoquinolin-1-one.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-4-(3-methoxyphenyl)-2H-isoquinolin-1-one
PubChem CID142740491
Molecular FormulaC23H19NO3
Molecular Weight357.41 g/mol
Exact Mass357.14
IUPAC Name3-(2-methoxyphenyl)-4-(3-methoxyphenyl)-2H-isoquinolin-1-one
SMILESCOc1cccc(-c2c(-c3ccccc3OC)[nH]c(=O)c3ccccc23)c1
InChIInChI=1S/C23H19NO3/c1-26-16-9-7-8-15(14-16)21-17-10-3-4-11-18(17)23(25)24-22(21)19-12-5-6-13-20(19)27-2/h3-14H,1-2H3,(H,24,25)
InChIKeyBLZAZZNIBBYCMY-UHFFFAOYSA-N
XLogP4.88
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromophenyl)-3-(3-methoxyphenyl)-1H-indole
CID 71497904
2-methoxy-1-[3-methoxy-4-(3-methoxyphenyl)phenyl]-4-(2-methoxyphenyl)benzene
CID 174295636
2-[2-(3-methoxyphenyl)phenyl]-3H-quinazolin-4-one
CID 168551424
1,2-dimethoxy-3-(3-methoxyphenyl)benzene
CID 57121160
3-(3-methoxyphenyl)-5-methyl-2H-isoquinolin-1-one
CID 142740971
2-(3-methoxyphenyl)-3H-quinazolin-4-one
CID 135486399
4-[3-[3-(dimethylamino)propoxy]phenyl]-6-methyl-3-(2-methylphenyl)-2H-isoquinolin-1-one
CID 142740490
4-hydroxy-7-methoxy-3-(2-methoxyphenyl)-1H-quinolin-2-one
CID 54691271
9-(2-methoxyphenyl)-10-(4-methoxyphenyl)anthracene
CID 11523963
2-amino-4-[2-(3-methoxyphenyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393888
3-methoxy-5H-phenanthridin-6-one
CID 12706603
3-methoxy-2-(3-methoxyphenyl)benzoic acid
CID 19594928

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-4-(3-methoxyphenyl)-2H-isoquinolin-1-one?
The IUPAC name of 3-(2-methoxyphenyl)-4-(3-methoxyphenyl)-2H-isoquinolin-1-one (CID 142740491) is 3-(2-methoxyphenyl)-4-(3-methoxyphenyl)-2H-isoquinolin-1-one.
What is the SMILES notation for 3-(2-methoxyphenyl)-4-(3-methoxyphenyl)-2H-isoquinolin-1-one?
The canonical SMILES for 3-(2-methoxyphenyl)-4-(3-methoxyphenyl)-2H-isoquinolin-1-one is COc1cccc(-c2c(-c3ccccc3OC)[nH]c(=O)c3ccccc23)c1.
What is the InChIKey of 3-(2-methoxyphenyl)-4-(3-methoxyphenyl)-2H-isoquinolin-1-one?
The InChIKey is BLZAZZNIBBYCMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO3/c1-26-16-9-7-8-15(14-16)21-17-10-3-4-11-18(17)23(25)24-22(21)19-12-5-6-13-20(19)27-2/h3-14H,1-2H3,(H,24,25).
What are the key properties of 3-(2-methoxyphenyl)-4-(3-methoxyphenyl)-2H-isoquinolin-1-one?
3-(2-methoxyphenyl)-4-(3-methoxyphenyl)-2H-isoquinolin-1-one has a molecular weight of 357.41 g/mol, XLogP of 4.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-4-(3-methoxyphenyl)-2H-isoquinolin-1-one is sourced from PubChem (CID 142740491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).