6-ethyl-8-(2-methoxy-3-pyridinyl)-3-methyl-2H-isoquinolin-1-one

C18H18N2O2 — CID 90903127

IUPAC6-ethyl-8-(2-methoxy-3-pyridinyl)-3-methyl-2H-isoquinolin-1-one
SMILESCCc1cc(-c2cccnc2OC)c2c(=O)[nH]c(C)cc2c1
InChIInChI=1S/C18H18N2O2/c1-4-12-9-13-8-11(2)20-17(21)16(13)15(10-12)14-6-5-7-19-18(14)22-3/h5-10H,4H2,1-3H3,(H,20,21)
InChIKeyBHVIUKCFHXNDGK-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.47
Rot. Bonds3

About 6-ethyl-8-(2-methoxy-3-pyridinyl)-3-methyl-2H-isoquinolin-1-one

6-ethyl-8-(2-methoxy-3-pyridinyl)-3-methyl-2H-isoquinolin-1-one (PubChem CID 90903127) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 6-ethyl-8-(2-methoxy-3-pyridinyl)-3-methyl-2H-isoquinolin-1-one.

Molecular Properties

Compound Name6-ethyl-8-(2-methoxy-3-pyridinyl)-3-methyl-2H-isoquinolin-1-one
PubChem CID90903127
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name6-ethyl-8-(2-methoxy-3-pyridinyl)-3-methyl-2H-isoquinolin-1-one
SMILESCCc1cc(-c2cccnc2OC)c2c(=O)[nH]c(C)cc2c1
InChIInChI=1S/C18H18N2O2/c1-4-12-9-13-8-11(2)20-17(21)16(13)15(10-12)14-6-5-7-19-18(14)22-3/h5-10H,4H2,1-3H3,(H,20,21)
InChIKeyBHVIUKCFHXNDGK-UHFFFAOYSA-N
XLogP3.47
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-8-(2-methoxy-3-pyridinyl)-3-methyl-2H-isoquinolin-1-one?
The IUPAC name of 6-ethyl-8-(2-methoxy-3-pyridinyl)-3-methyl-2H-isoquinolin-1-one (CID 90903127) is 6-ethyl-8-(2-methoxy-3-pyridinyl)-3-methyl-2H-isoquinolin-1-one.
What is the SMILES notation for 6-ethyl-8-(2-methoxy-3-pyridinyl)-3-methyl-2H-isoquinolin-1-one?
The canonical SMILES for 6-ethyl-8-(2-methoxy-3-pyridinyl)-3-methyl-2H-isoquinolin-1-one is CCc1cc(-c2cccnc2OC)c2c(=O)[nH]c(C)cc2c1.
What is the InChIKey of 6-ethyl-8-(2-methoxy-3-pyridinyl)-3-methyl-2H-isoquinolin-1-one?
The InChIKey is BHVIUKCFHXNDGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-4-12-9-13-8-11(2)20-17(21)16(13)15(10-12)14-6-5-7-19-18(14)22-3/h5-10H,4H2,1-3H3,(H,20,21).
What are the key properties of 6-ethyl-8-(2-methoxy-3-pyridinyl)-3-methyl-2H-isoquinolin-1-one?
6-ethyl-8-(2-methoxy-3-pyridinyl)-3-methyl-2H-isoquinolin-1-one has a molecular weight of 294.35 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-8-(2-methoxy-3-pyridinyl)-3-methyl-2H-isoquinolin-1-one is sourced from PubChem (CID 90903127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).