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

C14H16N2O3 — CID 54218598

IUPAC6,7-dimethoxy-2,3,6,7-tetrahydropyrimido[6,1-a]isoquinolin-4-one
SMILESCOC1c2ccccc2C2=CCNC(=O)N2C1OC
InChIInChI=1S/C14H16N2O3/c1-18-12-10-6-4-3-5-9(10)11-7-8-15-14(17)16(11)13(12)19-2/h3-7,12-13H,8H2,1-2H3,(H,15,17)
InChIKeyQAXXEGDQVDJOAA-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.73
Rot. Bonds2

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

6,7-dimethoxy-2,3,6,7-tetrahydropyrimido[6,1-a]isoquinolin-4-one (PubChem CID 54218598) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 6,7-dimethoxy-2,3,6,7-tetrahydropyrimido[6,1-a]isoquinolin-4-one.

Molecular Properties

Compound Name6,7-dimethoxy-2,3,6,7-tetrahydropyrimido[6,1-a]isoquinolin-4-one
PubChem CID54218598
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name6,7-dimethoxy-2,3,6,7-tetrahydropyrimido[6,1-a]isoquinolin-4-one
SMILESCOC1c2ccccc2C2=CCNC(=O)N2C1OC
InChIInChI=1S/C14H16N2O3/c1-18-12-10-6-4-3-5-9(10)11-7-8-15-14(17)16(11)13(12)19-2/h3-7,12-13H,8H2,1-2H3,(H,15,17)
InChIKeyQAXXEGDQVDJOAA-UHFFFAOYSA-N
XLogP1.73
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 ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-2,3,6,7-tetrahydropyrimido[6,1-a]isoquinolin-4-one?
The IUPAC name of 6,7-dimethoxy-2,3,6,7-tetrahydropyrimido[6,1-a]isoquinolin-4-one (CID 54218598) is 6,7-dimethoxy-2,3,6,7-tetrahydropyrimido[6,1-a]isoquinolin-4-one.
What is the SMILES notation for 6,7-dimethoxy-2,3,6,7-tetrahydropyrimido[6,1-a]isoquinolin-4-one?
The canonical SMILES for 6,7-dimethoxy-2,3,6,7-tetrahydropyrimido[6,1-a]isoquinolin-4-one is COC1c2ccccc2C2=CCNC(=O)N2C1OC.
What is the InChIKey of 6,7-dimethoxy-2,3,6,7-tetrahydropyrimido[6,1-a]isoquinolin-4-one?
The InChIKey is QAXXEGDQVDJOAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-18-12-10-6-4-3-5-9(10)11-7-8-15-14(17)16(11)13(12)19-2/h3-7,12-13H,8H2,1-2H3,(H,15,17).
What are the key properties of 6,7-dimethoxy-2,3,6,7-tetrahydropyrimido[6,1-a]isoquinolin-4-one?
6,7-dimethoxy-2,3,6,7-tetrahydropyrimido[6,1-a]isoquinolin-4-one has a molecular weight of 260.29 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-2,3,6,7-tetrahydropyrimido[6,1-a]isoquinolin-4-one is sourced from PubChem (CID 54218598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).