7-methoxy-5,8-dimethyl-4-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one

C15H21NO2 — CID 82130921

IUPAC7-methoxy-5,8-dimethyl-4-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one
SMILESCOc1cc(C)c2c(c1C)C(=O)NCC2C(C)C
InChIInChI=1S/C15H21NO2/c1-8(2)11-7-16-15(17)14-10(4)12(18-5)6-9(3)13(11)14/h6,8,11H,7H2,1-5H3,(H,16,17)
InChIKeyIBBPPRAREAWUJZ-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.80
Rot. Bonds2

About 7-methoxy-5,8-dimethyl-4-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one

7-methoxy-5,8-dimethyl-4-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one (PubChem CID 82130921) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 7-methoxy-5,8-dimethyl-4-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one.

Molecular Properties

Compound Name7-methoxy-5,8-dimethyl-4-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one
PubChem CID82130921
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name7-methoxy-5,8-dimethyl-4-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one
SMILESCOc1cc(C)c2c(c1C)C(=O)NCC2C(C)C
InChIInChI=1S/C15H21NO2/c1-8(2)11-7-16-15(17)14-10(4)12(18-5)6-9(3)13(11)14/h6,8,11H,7H2,1-5H3,(H,16,17)
InChIKeyIBBPPRAREAWUJZ-UHFFFAOYSA-N
XLogP2.80
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-5,8-dimethyl-4-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one?
The IUPAC name of 7-methoxy-5,8-dimethyl-4-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one (CID 82130921) is 7-methoxy-5,8-dimethyl-4-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one.
What is the SMILES notation for 7-methoxy-5,8-dimethyl-4-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one?
The canonical SMILES for 7-methoxy-5,8-dimethyl-4-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one is COc1cc(C)c2c(c1C)C(=O)NCC2C(C)C.
What is the InChIKey of 7-methoxy-5,8-dimethyl-4-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one?
The InChIKey is IBBPPRAREAWUJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-8(2)11-7-16-15(17)14-10(4)12(18-5)6-9(3)13(11)14/h6,8,11H,7H2,1-5H3,(H,16,17).
What are the key properties of 7-methoxy-5,8-dimethyl-4-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one?
7-methoxy-5,8-dimethyl-4-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one has a molecular weight of 247.34 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-5,8-dimethyl-4-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one is sourced from PubChem (CID 82130921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).