5-isoquinolin-5-yl-3-methyl-1H-pyridin-2-one

C15H12N2O — CID 83131231

IUPAC5-isoquinolin-5-yl-3-methyl-1H-pyridin-2-one
SMILESCc1cc(-c2cccc3cnccc23)c[nH]c1=O
InChIInChI=1S/C15H12N2O/c1-10-7-12(9-17-15(10)18)13-4-2-3-11-8-16-6-5-14(11)13/h2-9H,1H3,(H,17,18)
InChIKeyMAQSRCDRLXPKCD-UHFFFAOYSA-N
MW236.27 g/mol
LogP2.90
Rot. Bonds1

About 5-isoquinolin-5-yl-3-methyl-1H-pyridin-2-one

5-isoquinolin-5-yl-3-methyl-1H-pyridin-2-one (PubChem CID 83131231) has the molecular formula C15H12N2O and a molecular weight of 236.27 g/mol. Its IUPAC name is 5-isoquinolin-5-yl-3-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name5-isoquinolin-5-yl-3-methyl-1H-pyridin-2-one
PubChem CID83131231
Molecular FormulaC15H12N2O
Molecular Weight236.27 g/mol
Exact Mass236.09
IUPAC Name5-isoquinolin-5-yl-3-methyl-1H-pyridin-2-one
SMILESCc1cc(-c2cccc3cnccc23)c[nH]c1=O
InChIInChI=1S/C15H12N2O/c1-10-7-12(9-17-15(10)18)13-4-2-3-11-8-16-6-5-14(11)13/h2-9H,1H3,(H,17,18)
InChIKeyMAQSRCDRLXPKCD-UHFFFAOYSA-N
XLogP2.90
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-isoquinolin-5-yl-3-methyl-1H-pyridin-2-one?
The IUPAC name of 5-isoquinolin-5-yl-3-methyl-1H-pyridin-2-one (CID 83131231) is 5-isoquinolin-5-yl-3-methyl-1H-pyridin-2-one.
What is the SMILES notation for 5-isoquinolin-5-yl-3-methyl-1H-pyridin-2-one?
The canonical SMILES for 5-isoquinolin-5-yl-3-methyl-1H-pyridin-2-one is Cc1cc(-c2cccc3cnccc23)c[nH]c1=O.
What is the InChIKey of 5-isoquinolin-5-yl-3-methyl-1H-pyridin-2-one?
The InChIKey is MAQSRCDRLXPKCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O/c1-10-7-12(9-17-15(10)18)13-4-2-3-11-8-16-6-5-14(11)13/h2-9H,1H3,(H,17,18).
What are the key properties of 5-isoquinolin-5-yl-3-methyl-1H-pyridin-2-one?
5-isoquinolin-5-yl-3-methyl-1H-pyridin-2-one has a molecular weight of 236.27 g/mol, XLogP of 2.90, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-isoquinolin-5-yl-3-methyl-1H-pyridin-2-one is sourced from PubChem (CID 83131231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).