4-(cyclohexylmethyl)-6-methoxy-2,4-dimethyl-3H-isoquinolin-1-one

C19H27NO2 — CID 132596146

IUPAC4-(cyclohexylmethyl)-6-methoxy-2,4-dimethyl-3H-isoquinolin-1-one
SMILESCOc1ccc2c(c1)C(C)(CC1CCCCC1)CN(C)C2=O
InChIInChI=1S/C19H27NO2/c1-19(12-14-7-5-4-6-8-14)13-20(2)18(21)16-10-9-15(22-3)11-17(16)19/h9-11,14H,4-8,12-13H2,1-3H3
InChIKeyVUNBHNKCJWOZKR-UHFFFAOYSA-N
MW301.43 g/mol
LogP4.01
Rot. Bonds3

About 4-(cyclohexylmethyl)-6-methoxy-2,4-dimethyl-3H-isoquinolin-1-one

4-(cyclohexylmethyl)-6-methoxy-2,4-dimethyl-3H-isoquinolin-1-one (PubChem CID 132596146) has the molecular formula C19H27NO2 and a molecular weight of 301.43 g/mol. Its IUPAC name is 4-(cyclohexylmethyl)-6-methoxy-2,4-dimethyl-3H-isoquinolin-1-one.

Molecular Properties

Compound Name4-(cyclohexylmethyl)-6-methoxy-2,4-dimethyl-3H-isoquinolin-1-one
PubChem CID132596146
Molecular FormulaC19H27NO2
Molecular Weight301.43 g/mol
Exact Mass301.20
IUPAC Name4-(cyclohexylmethyl)-6-methoxy-2,4-dimethyl-3H-isoquinolin-1-one
SMILESCOc1ccc2c(c1)C(C)(CC1CCCCC1)CN(C)C2=O
InChIInChI=1S/C19H27NO2/c1-19(12-14-7-5-4-6-8-14)13-20(2)18(21)16-10-9-15(22-3)11-17(16)19/h9-11,14H,4-8,12-13H2,1-3H3
InChIKeyVUNBHNKCJWOZKR-UHFFFAOYSA-N
XLogP4.01
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-(cyclohexylmethyl)-6-methoxy-2,4-dimethyl-3H-isoquinolin-1-one 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

6-methoxy-2-methylspiro[3H-isoquinoline-4,4'-cyclohexene]-1-one
CID 10611170
6-methoxy-4-methyl-4-(2-pyrrolidin-1-ylethyl)-2,3-dihydroisoquinolin-1-one
CID 22767279
1-(cyclopentylmethyl)-6-methoxyindole-2,3-dione
CID 61357084
1-cyclohexyl-2-(5-methoxy-3,3-dimethylisoindol-1-yl)ethanone
CID 90948759
7-methoxy-3-methyl-2H-1,3-benzoxazin-4-one
CID 162417326
3a-amino-2-cyclohexyl-7-methoxy-4,8b-dimethyl-1H-pyrrolo[3,4-b]indol-3-one
CID 51055665
2-cyclohexyl-1-(6-methoxynaphthalen-2-yl)ethanone
CID 63491322
N-[1-[1-(cyclohexylmethyl)-5-(4-methoxy-2-methylphenyl)-2-methylpyrrol-3-yl]ethenyl]cyclohexanamine
CID 89127612
4-methoxy-15-azatetracyclo[7.5.2.01,10.02,7]hexadeca-2(7),3,5-triene-8,16-dione
CID 67911037
6-fluoro-2,4,4-trimethyl-3H-isoquinolin-1-one
CID 177485750
1-(2-bromo-4-methoxyphenyl)-2-cyclohexylethanone
CID 54920032
3-methoxy-6,9-dimethyl-7H-benzo[d][2]benzazepin-5-one
CID 167573270

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylmethyl)-6-methoxy-2,4-dimethyl-3H-isoquinolin-1-one?
The IUPAC name of 4-(cyclohexylmethyl)-6-methoxy-2,4-dimethyl-3H-isoquinolin-1-one (CID 132596146) is 4-(cyclohexylmethyl)-6-methoxy-2,4-dimethyl-3H-isoquinolin-1-one.
What is the SMILES notation for 4-(cyclohexylmethyl)-6-methoxy-2,4-dimethyl-3H-isoquinolin-1-one?
The canonical SMILES for 4-(cyclohexylmethyl)-6-methoxy-2,4-dimethyl-3H-isoquinolin-1-one is COc1ccc2c(c1)C(C)(CC1CCCCC1)CN(C)C2=O.
What is the InChIKey of 4-(cyclohexylmethyl)-6-methoxy-2,4-dimethyl-3H-isoquinolin-1-one?
The InChIKey is VUNBHNKCJWOZKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO2/c1-19(12-14-7-5-4-6-8-14)13-20(2)18(21)16-10-9-15(22-3)11-17(16)19/h9-11,14H,4-8,12-13H2,1-3H3.
What are the key properties of 4-(cyclohexylmethyl)-6-methoxy-2,4-dimethyl-3H-isoquinolin-1-one?
4-(cyclohexylmethyl)-6-methoxy-2,4-dimethyl-3H-isoquinolin-1-one has a molecular weight of 301.43 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylmethyl)-6-methoxy-2,4-dimethyl-3H-isoquinolin-1-one is sourced from PubChem (CID 132596146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).