6-methoxy-2-[(4-methoxyphenyl)methyl]isoquinolin-1-one

C18H17NO3 — CID 127034647

IUPAC6-methoxy-2-[(4-methoxyphenyl)methyl]isoquinolin-1-one
SMILESCOc1ccc(Cn2ccc3cc(OC)ccc3c2=O)cc1
InChIInChI=1S/C18H17NO3/c1-21-15-5-3-13(4-6-15)12-19-10-9-14-11-16(22-2)7-8-17(14)18(19)20/h3-11H,12H2,1-2H3
InChIKeyFZUDUHADRPSCHH-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.07
Rot. Bonds4

About 6-methoxy-2-[(4-methoxyphenyl)methyl]isoquinolin-1-one

6-methoxy-2-[(4-methoxyphenyl)methyl]isoquinolin-1-one (PubChem CID 127034647) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is 6-methoxy-2-[(4-methoxyphenyl)methyl]isoquinolin-1-one.

Molecular Properties

Compound Name6-methoxy-2-[(4-methoxyphenyl)methyl]isoquinolin-1-one
PubChem CID127034647
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC Name6-methoxy-2-[(4-methoxyphenyl)methyl]isoquinolin-1-one
SMILESCOc1ccc(Cn2ccc3cc(OC)ccc3c2=O)cc1
InChIInChI=1S/C18H17NO3/c1-21-15-5-3-13(4-6-15)12-19-10-9-14-11-16(22-2)7-8-17(14)18(19)20/h3-11H,12H2,1-2H3
InChIKeyFZUDUHADRPSCHH-UHFFFAOYSA-N
XLogP3.07
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-aminophenyl)methyl]-6-methoxyisoquinolin-1-one
CID 82151488
2-[(4-aminophenyl)methyl]-6-propan-2-yloxyisoquinolin-1-one
CID 94758170
3-(6-methoxy-1-oxoisoquinolin-2-yl)-2-methylpropanethioamide
CID 82151790
3-chloro-1-[(4-methoxyphenyl)methyl]pyridin-2-one
CID 141379797
4-hydroxy-1-[(4-methoxyphenyl)methyl]pyridin-2-one
CID 54736914
6-methoxy-2-(2-piperidin-2-ylethyl)isoquinolin-1-one
CID 82151396
2-[(3-methoxyphenyl)methyl]-6-(5-methyl-1H-pyrazol-4-yl)isoquinolin-1-one
CID 164572220
2-benzyl-6-bromoisoquinolin-1-one
CID 18963984
5-bromo-8-methoxy-2-[(4-methoxyphenyl)methyl]isoquinolin-1-one
CID 168877714
[4-[(5-methoxyindol-1-yl)methyl]phenoxy]boronic acid
CID 169006286
7-methoxy-2-[(5-methyl-1,2-oxazol-3-yl)methyl]isoquinolin-1-one
CID 84594385
7-fluoro-3-[(4-methoxyphenyl)methyl]quinazolin-4-one
CID 118722436

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-[(4-methoxyphenyl)methyl]isoquinolin-1-one?
The IUPAC name of 6-methoxy-2-[(4-methoxyphenyl)methyl]isoquinolin-1-one (CID 127034647) is 6-methoxy-2-[(4-methoxyphenyl)methyl]isoquinolin-1-one.
What is the SMILES notation for 6-methoxy-2-[(4-methoxyphenyl)methyl]isoquinolin-1-one?
The canonical SMILES for 6-methoxy-2-[(4-methoxyphenyl)methyl]isoquinolin-1-one is COc1ccc(Cn2ccc3cc(OC)ccc3c2=O)cc1.
What is the InChIKey of 6-methoxy-2-[(4-methoxyphenyl)methyl]isoquinolin-1-one?
The InChIKey is FZUDUHADRPSCHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3/c1-21-15-5-3-13(4-6-15)12-19-10-9-14-11-16(22-2)7-8-17(14)18(19)20/h3-11H,12H2,1-2H3.
What are the key properties of 6-methoxy-2-[(4-methoxyphenyl)methyl]isoquinolin-1-one?
6-methoxy-2-[(4-methoxyphenyl)methyl]isoquinolin-1-one has a molecular weight of 295.34 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-[(4-methoxyphenyl)methyl]isoquinolin-1-one is sourced from PubChem (CID 127034647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).