9,10-dimethoxy-2-(2-morpholin-4-ylethoxy)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one

C20H25N3O5 — CID 666085

IUPAC9,10-dimethoxy-2-(2-morpholin-4-ylethoxy)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
SMILESCOc1cc2c(cc1OC)-c1cc(OCCN3CCOCC3)nc(=O)n1CC2
InChIInChI=1S/C20H25N3O5/c1-25-17-11-14-3-4-23-16(15(14)12-18(17)26-2)13-19(21-20(23)24)28-10-7-22-5-8-27-9-6-22/h11-13H,3-10H2,1-2H3
InChIKeyWOPFUVZIUFBMCM-UHFFFAOYSA-N
MW387.44 g/mol
LogP1.19
Rot. Bonds6

About 9,10-dimethoxy-2-(2-morpholin-4-ylethoxy)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one

9,10-dimethoxy-2-(2-morpholin-4-ylethoxy)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one (PubChem CID 666085) has the molecular formula C20H25N3O5 and a molecular weight of 387.44 g/mol. Its IUPAC name is 9,10-dimethoxy-2-(2-morpholin-4-ylethoxy)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one.

Molecular Properties

Compound Name9,10-dimethoxy-2-(2-morpholin-4-ylethoxy)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
PubChem CID666085
Molecular FormulaC20H25N3O5
Molecular Weight387.44 g/mol
Exact Mass387.18
IUPAC Name9,10-dimethoxy-2-(2-morpholin-4-ylethoxy)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
SMILESCOc1cc2c(cc1OC)-c1cc(OCCN3CCOCC3)nc(=O)n1CC2
InChIInChI=1S/C20H25N3O5/c1-25-17-11-14-3-4-23-16(15(14)12-18(17)26-2)13-19(21-20(23)24)28-10-7-22-5-8-27-9-6-22/h11-13H,3-10H2,1-2H3
InChIKeyWOPFUVZIUFBMCM-UHFFFAOYSA-N
XLogP1.19
TPSA75.05 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 9,10-dimethoxy-2-(2-morpholin-4-ylethoxy)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one?
The IUPAC name of 9,10-dimethoxy-2-(2-morpholin-4-ylethoxy)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one (CID 666085) is 9,10-dimethoxy-2-(2-morpholin-4-ylethoxy)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one.
What is the SMILES notation for 9,10-dimethoxy-2-(2-morpholin-4-ylethoxy)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one?
The canonical SMILES for 9,10-dimethoxy-2-(2-morpholin-4-ylethoxy)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one is COc1cc2c(cc1OC)-c1cc(OCCN3CCOCC3)nc(=O)n1CC2.
What is the InChIKey of 9,10-dimethoxy-2-(2-morpholin-4-ylethoxy)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one?
The InChIKey is WOPFUVZIUFBMCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O5/c1-25-17-11-14-3-4-23-16(15(14)12-18(17)26-2)13-19(21-20(23)24)28-10-7-22-5-8-27-9-6-22/h11-13H,3-10H2,1-2H3.
What are the key properties of 9,10-dimethoxy-2-(2-morpholin-4-ylethoxy)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one?
9,10-dimethoxy-2-(2-morpholin-4-ylethoxy)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one has a molecular weight of 387.44 g/mol, XLogP of 1.19, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-dimethoxy-2-(2-morpholin-4-ylethoxy)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one is sourced from PubChem (CID 666085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).