1,2-dimethoxy-2,3,6,7-tetrahydropyrimido[6,1-a]isoquinolin-4-one

C14H16N2O3 — CID 69406087

IUPAC1,2-dimethoxy-2,3,6,7-tetrahydropyrimido[6,1-a]isoquinolin-4-one
SMILESCOC1=C2c3ccccc3CCN2C(=O)NC1OC
InChIInChI=1S/C14H16N2O3/c1-18-12-11-10-6-4-3-5-9(10)7-8-16(11)14(17)15-13(12)19-2/h3-6,13H,7-8H2,1-2H3,(H,15,17)
InChIKeySARSAYDJYFMUHI-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.56
Rot. Bonds2

About 1,2-dimethoxy-2,3,6,7-tetrahydropyrimido[6,1-a]isoquinolin-4-one

1,2-dimethoxy-2,3,6,7-tetrahydropyrimido[6,1-a]isoquinolin-4-one (PubChem CID 69406087) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 1,2-dimethoxy-2,3,6,7-tetrahydropyrimido[6,1-a]isoquinolin-4-one.

Molecular Properties

Compound Name1,2-dimethoxy-2,3,6,7-tetrahydropyrimido[6,1-a]isoquinolin-4-one
PubChem CID69406087
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name1,2-dimethoxy-2,3,6,7-tetrahydropyrimido[6,1-a]isoquinolin-4-one
SMILESCOC1=C2c3ccccc3CCN2C(=O)NC1OC
InChIInChI=1S/C14H16N2O3/c1-18-12-11-10-6-4-3-5-9(10)7-8-16(11)14(17)15-13(12)19-2/h3-6,13H,7-8H2,1-2H3,(H,15,17)
InChIKeySARSAYDJYFMUHI-UHFFFAOYSA-N
XLogP1.56
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethoxy-2,3,6,7-tetrahydropyrimido[6,1-a]isoquinolin-4-one?
The IUPAC name of 1,2-dimethoxy-2,3,6,7-tetrahydropyrimido[6,1-a]isoquinolin-4-one (CID 69406087) is 1,2-dimethoxy-2,3,6,7-tetrahydropyrimido[6,1-a]isoquinolin-4-one.
What is the SMILES notation for 1,2-dimethoxy-2,3,6,7-tetrahydropyrimido[6,1-a]isoquinolin-4-one?
The canonical SMILES for 1,2-dimethoxy-2,3,6,7-tetrahydropyrimido[6,1-a]isoquinolin-4-one is COC1=C2c3ccccc3CCN2C(=O)NC1OC.
What is the InChIKey of 1,2-dimethoxy-2,3,6,7-tetrahydropyrimido[6,1-a]isoquinolin-4-one?
The InChIKey is SARSAYDJYFMUHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-18-12-11-10-6-4-3-5-9(10)7-8-16(11)14(17)15-13(12)19-2/h3-6,13H,7-8H2,1-2H3,(H,15,17).
What are the key properties of 1,2-dimethoxy-2,3,6,7-tetrahydropyrimido[6,1-a]isoquinolin-4-one?
1,2-dimethoxy-2,3,6,7-tetrahydropyrimido[6,1-a]isoquinolin-4-one has a molecular weight of 260.29 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethoxy-2,3,6,7-tetrahydropyrimido[6,1-a]isoquinolin-4-one is sourced from PubChem (CID 69406087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).