2-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-8-methyl-3,4-dihydroisoquinolin-1-one

C18H20N2O2 — CID 90246224

IUPAC2-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-8-methyl-3,4-dihydroisoquinolin-1-one
SMILESCc1cc(C)c(CN2CCc3cccc(C)c3C2=O)c(=O)[nH]1
InChIInChI=1S/C18H20N2O2/c1-11-5-4-6-14-7-8-20(18(22)16(11)14)10-15-12(2)9-13(3)19-17(15)21/h4-6,9H,7-8,10H2,1-3H3,(H,19,21)
InChIKeyZGJHFFMWZIITOA-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.50
Rot. Bonds2

About 2-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-8-methyl-3,4-dihydroisoquinolin-1-one

2-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-8-methyl-3,4-dihydroisoquinolin-1-one (PubChem CID 90246224) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-8-methyl-3,4-dihydroisoquinolin-1-one.

Molecular Properties

Compound Name2-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-8-methyl-3,4-dihydroisoquinolin-1-one
PubChem CID90246224
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name2-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-8-methyl-3,4-dihydroisoquinolin-1-one
SMILESCc1cc(C)c(CN2CCc3cccc(C)c3C2=O)c(=O)[nH]1
InChIInChI=1S/C18H20N2O2/c1-11-5-4-6-14-7-8-20(18(22)16(11)14)10-15-12(2)9-13(3)19-17(15)21/h4-6,9H,7-8,10H2,1-3H3,(H,19,21)
InChIKeyZGJHFFMWZIITOA-UHFFFAOYSA-N
XLogP2.50
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-8-methyl-3,4-dihydroisoquinolin-1-one?
The IUPAC name of 2-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-8-methyl-3,4-dihydroisoquinolin-1-one (CID 90246224) is 2-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-8-methyl-3,4-dihydroisoquinolin-1-one.
What is the SMILES notation for 2-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-8-methyl-3,4-dihydroisoquinolin-1-one?
The canonical SMILES for 2-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-8-methyl-3,4-dihydroisoquinolin-1-one is Cc1cc(C)c(CN2CCc3cccc(C)c3C2=O)c(=O)[nH]1.
What is the InChIKey of 2-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-8-methyl-3,4-dihydroisoquinolin-1-one?
The InChIKey is ZGJHFFMWZIITOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-11-5-4-6-14-7-8-20(18(22)16(11)14)10-15-12(2)9-13(3)19-17(15)21/h4-6,9H,7-8,10H2,1-3H3,(H,19,21).
What are the key properties of 2-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-8-methyl-3,4-dihydroisoquinolin-1-one?
2-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-8-methyl-3,4-dihydroisoquinolin-1-one has a molecular weight of 296.37 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-8-methyl-3,4-dihydroisoquinolin-1-one is sourced from PubChem (CID 90246224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).