2-ethyl-4-methoxy-7-propan-2-ylisoquinolin-1-one

C15H19NO2 — CID 178177819

IUPAC2-ethyl-4-methoxy-7-propan-2-ylisoquinolin-1-one
SMILESCCn1cc(OC)c2ccc(C(C)C)cc2c1=O
InChIInChI=1S/C15H19NO2/c1-5-16-9-14(18-4)12-7-6-11(10(2)3)8-13(12)15(16)17/h6-10H,5H2,1-4H3
InChIKeyATMDGFGSJWIJFC-UHFFFAOYSA-N
MW245.32 g/mol
LogP3.15
Rot. Bonds3

About 2-ethyl-4-methoxy-7-propan-2-ylisoquinolin-1-one

2-ethyl-4-methoxy-7-propan-2-ylisoquinolin-1-one (PubChem CID 178177819) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 2-ethyl-4-methoxy-7-propan-2-ylisoquinolin-1-one.

Molecular Properties

Compound Name2-ethyl-4-methoxy-7-propan-2-ylisoquinolin-1-one
PubChem CID178177819
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name2-ethyl-4-methoxy-7-propan-2-ylisoquinolin-1-one
SMILESCCn1cc(OC)c2ccc(C(C)C)cc2c1=O
InChIInChI=1S/C15H19NO2/c1-5-16-9-14(18-4)12-7-6-11(10(2)3)8-13(12)15(16)17/h6-10H,5H2,1-4H3
InChIKeyATMDGFGSJWIJFC-UHFFFAOYSA-N
XLogP3.15
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-2-ethyl-6,7-dimethoxyisoquinolin-1-one
CID 68853897
(2-ethyl-6,7-dimethoxy-1-oxoisoquinolin-4-yl) N-(2-methylbutyl)carbamate
CID 129111241
2-ethyl-7-methoxy-4-methylisoquinolin-1-one
CID 115030040
1-methoxy-4-methyl-6-propan-2-ylnaphthalene
CID 101078716
ethane;1-ethyl-2-methoxy-4-propan-2-ylbenzene
CID 166091157
(2-ethyl-6,7-dimethoxy-1-oxoisoquinolin-4-yl) N-(4-methylphenyl)carbamate
CID 129111240
2-(ethylamino)-N-(2-methoxy-5-propan-2-ylphenyl)acetamide
CID 115157667
3-ethoxy-2-methoxy-8-propan-2-ylbenzo[c]chromen-6-one
CID 130455889
1,2-dimethoxy-4-propan-2-ylbenzene;1,3-dimethyl-5-propan-2-ylindole
CID 163892764
2-ethoxy-1-methoxy-4-propan-2-ylbenzene
CID 22087689
ethyl 2-methoxy-4-propan-2-ylbenzoate
CID 116964804
(2-ethyl-6,7-dimethoxy-1-oxoisoquinolin-4-yl) N-(3,3-dimethylbutyl)carbamate
CID 129111398

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-methoxy-7-propan-2-ylisoquinolin-1-one?
The IUPAC name of 2-ethyl-4-methoxy-7-propan-2-ylisoquinolin-1-one (CID 178177819) is 2-ethyl-4-methoxy-7-propan-2-ylisoquinolin-1-one.
What is the SMILES notation for 2-ethyl-4-methoxy-7-propan-2-ylisoquinolin-1-one?
The canonical SMILES for 2-ethyl-4-methoxy-7-propan-2-ylisoquinolin-1-one is CCn1cc(OC)c2ccc(C(C)C)cc2c1=O.
What is the InChIKey of 2-ethyl-4-methoxy-7-propan-2-ylisoquinolin-1-one?
The InChIKey is ATMDGFGSJWIJFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-5-16-9-14(18-4)12-7-6-11(10(2)3)8-13(12)15(16)17/h6-10H,5H2,1-4H3.
What are the key properties of 2-ethyl-4-methoxy-7-propan-2-ylisoquinolin-1-one?
2-ethyl-4-methoxy-7-propan-2-ylisoquinolin-1-one has a molecular weight of 245.32 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-methoxy-7-propan-2-ylisoquinolin-1-one is sourced from PubChem (CID 178177819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).