1-methyl-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one

C13H12N2O — CID 141403181

IUPAC1-methyl-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
SMILESCc1cnc(=O)n2c1-c1ccccc1CC2
InChIInChI=1S/C13H12N2O/c1-9-8-14-13(16)15-7-6-10-4-2-3-5-11(10)12(9)15/h2-5,8H,6-7H2,1H3
InChIKeyUZFATNANPZAFSJ-UHFFFAOYSA-N
MW212.25 g/mol
LogP1.77
Rot. Bonds

About 1-methyl-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one

1-methyl-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one (PubChem CID 141403181) has the molecular formula C13H12N2O and a molecular weight of 212.25 g/mol. Its IUPAC name is 1-methyl-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one.

Molecular Properties

Compound Name1-methyl-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
PubChem CID141403181
Molecular FormulaC13H12N2O
Molecular Weight212.25 g/mol
Exact Mass212.09
IUPAC Name1-methyl-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
SMILESCc1cnc(=O)n2c1-c1ccccc1CC2
InChIInChI=1S/C13H12N2O/c1-9-8-14-13(16)15-7-6-10-4-2-3-5-11(10)12(9)15/h2-5,8H,6-7H2,1H3
InChIKeyUZFATNANPZAFSJ-UHFFFAOYSA-N
XLogP1.77
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one?
The IUPAC name of 1-methyl-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one (CID 141403181) is 1-methyl-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one.
What is the SMILES notation for 1-methyl-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one?
The canonical SMILES for 1-methyl-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one is Cc1cnc(=O)n2c1-c1ccccc1CC2.
What is the InChIKey of 1-methyl-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one?
The InChIKey is UZFATNANPZAFSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O/c1-9-8-14-13(16)15-7-6-10-4-2-3-5-11(10)12(9)15/h2-5,8H,6-7H2,1H3.
What are the key properties of 1-methyl-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one?
1-methyl-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one has a molecular weight of 212.25 g/mol, XLogP of 1.77, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one is sourced from PubChem (CID 141403181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).