1-[4-(6,7-dimethoxy-1-methylisoquinolin-3-yl)phenyl]ethanone

C20H19NO3 — CID 143741295

IUPAC1-[4-(6,7-dimethoxy-1-methylisoquinolin-3-yl)phenyl]ethanone
SMILESCOc1cc2cc(-c3ccc(C(C)=O)cc3)nc(C)c2cc1OC
InChIInChI=1S/C20H19NO3/c1-12-17-11-20(24-4)19(23-3)10-16(17)9-18(21-12)15-7-5-14(6-8-15)13(2)22/h5-11H,1-4H3
InChIKeyPALFDGBAMSQPOW-UHFFFAOYSA-N
MW321.38 g/mol
LogP4.43
Rot. Bonds4

About 1-[4-(6,7-dimethoxy-1-methylisoquinolin-3-yl)phenyl]ethanone

1-[4-(6,7-dimethoxy-1-methylisoquinolin-3-yl)phenyl]ethanone (PubChem CID 143741295) has the molecular formula C20H19NO3 and a molecular weight of 321.38 g/mol. Its IUPAC name is 1-[4-(6,7-dimethoxy-1-methylisoquinolin-3-yl)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-(6,7-dimethoxy-1-methylisoquinolin-3-yl)phenyl]ethanone
PubChem CID143741295
Molecular FormulaC20H19NO3
Molecular Weight321.38 g/mol
Exact Mass321.14
IUPAC Name1-[4-(6,7-dimethoxy-1-methylisoquinolin-3-yl)phenyl]ethanone
SMILESCOc1cc2cc(-c3ccc(C(C)=O)cc3)nc(C)c2cc1OC
InChIInChI=1S/C20H19NO3/c1-12-17-11-20(24-4)19(23-3)10-16(17)9-18(21-12)15-7-5-14(6-8-15)13(2)22/h5-11H,1-4H3
InChIKeyPALFDGBAMSQPOW-UHFFFAOYSA-N
XLogP4.43
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-(6,7-dimethoxy-1-methylisoquinolin-3-yl)phenyl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3,4-dichlorophenyl)-6,7-dimethoxy-1-methylisoquinoline
CID 25165022
3-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-1-methylisoquinoline
CID 23296085
6,7-dimethoxy-2-(4-methylphenyl)quinoline-4-carboxylic acid
CID 18073657
[5-(6,7-dimethoxy-1-methylisoquinolin-3-yl)-2,3-dimethoxyphenyl] trifluoromethanesulfonate
CID 87076985
4-(4-acetylphenyl)-3,5-dimethoxybenzoic acid
CID 102584485
N-[3-(6,7-dimethoxy-1-methylisoquinolin-3-yl)phenyl]-N-methylsulfanylmethanesulfinamide
CID 143741270
4-acetyl-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 2321966
1-[4-(2-methoxy-3,6-dimethylphenyl)phenyl]ethanone
CID 58201253
1-(4-acetylphenyl)ethanone;1,2-dimethoxy-4-phenylbenzene;1-methoxy-4-(4-methoxyphenyl)benzene;1-methoxy-4-(4-methylphenyl)benzene;1-(4-methoxyphenyl)ethanone
CID 158634652
2-(4-chlorophenyl)-6,7-dimethoxyquinoline-4-carboxylic acid
CID 18073642
(4-acetylphenyl) 2-(4-methylphenyl)quinoline-4-carboxylate
CID 1128701
ethyl 1-(3,4-dimethoxybenzoyl)-6,7-dimethoxyisoquinoline-3-carboxylate
CID 11761685

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6,7-dimethoxy-1-methylisoquinolin-3-yl)phenyl]ethanone?
The IUPAC name of 1-[4-(6,7-dimethoxy-1-methylisoquinolin-3-yl)phenyl]ethanone (CID 143741295) is 1-[4-(6,7-dimethoxy-1-methylisoquinolin-3-yl)phenyl]ethanone.
What is the SMILES notation for 1-[4-(6,7-dimethoxy-1-methylisoquinolin-3-yl)phenyl]ethanone?
The canonical SMILES for 1-[4-(6,7-dimethoxy-1-methylisoquinolin-3-yl)phenyl]ethanone is COc1cc2cc(-c3ccc(C(C)=O)cc3)nc(C)c2cc1OC.
What is the InChIKey of 1-[4-(6,7-dimethoxy-1-methylisoquinolin-3-yl)phenyl]ethanone?
The InChIKey is PALFDGBAMSQPOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO3/c1-12-17-11-20(24-4)19(23-3)10-16(17)9-18(21-12)15-7-5-14(6-8-15)13(2)22/h5-11H,1-4H3.
What are the key properties of 1-[4-(6,7-dimethoxy-1-methylisoquinolin-3-yl)phenyl]ethanone?
1-[4-(6,7-dimethoxy-1-methylisoquinolin-3-yl)phenyl]ethanone has a molecular weight of 321.38 g/mol, XLogP of 4.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6,7-dimethoxy-1-methylisoquinolin-3-yl)phenyl]ethanone is sourced from PubChem (CID 143741295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).