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

C22H22N2O4 — CID 162653421

IUPAC9,10-dimethoxy-2-(2-phenylethoxy)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
SMILESCOc1cc2c(cc1OC)-c1cc(OCCc3ccccc3)nc(=O)n1CC2
InChIInChI=1S/C22H22N2O4/c1-26-19-12-16-8-10-24-18(17(16)13-20(19)27-2)14-21(23-22(24)25)28-11-9-15-6-4-3-5-7-15/h3-7,12-14H,8-11H2,1-2H3
InChIKeyJJPGOEURQAFSRM-UHFFFAOYSA-N
MW378.43 g/mol
LogP3.11
Rot. Bonds6

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

9,10-dimethoxy-2-(2-phenylethoxy)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one (PubChem CID 162653421) has the molecular formula C22H22N2O4 and a molecular weight of 378.43 g/mol. Its IUPAC name is 9,10-dimethoxy-2-(2-phenylethoxy)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one.

Molecular Properties

Compound Name9,10-dimethoxy-2-(2-phenylethoxy)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
PubChem CID162653421
Molecular FormulaC22H22N2O4
Molecular Weight378.43 g/mol
Exact Mass378.16
IUPAC Name9,10-dimethoxy-2-(2-phenylethoxy)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
SMILESCOc1cc2c(cc1OC)-c1cc(OCCc3ccccc3)nc(=O)n1CC2
InChIInChI=1S/C22H22N2O4/c1-26-19-12-16-8-10-24-18(17(16)13-20(19)27-2)14-21(23-22(24)25)28-11-9-15-6-4-3-5-7-15/h3-7,12-14H,8-11H2,1-2H3
InChIKeyJJPGOEURQAFSRM-UHFFFAOYSA-N
XLogP3.11
TPSA62.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 9,10-dimethoxy-2-(2-phenylethoxy)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one?
The IUPAC name of 9,10-dimethoxy-2-(2-phenylethoxy)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one (CID 162653421) is 9,10-dimethoxy-2-(2-phenylethoxy)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one.
What is the SMILES notation for 9,10-dimethoxy-2-(2-phenylethoxy)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one?
The canonical SMILES for 9,10-dimethoxy-2-(2-phenylethoxy)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one is COc1cc2c(cc1OC)-c1cc(OCCc3ccccc3)nc(=O)n1CC2.
What is the InChIKey of 9,10-dimethoxy-2-(2-phenylethoxy)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one?
The InChIKey is JJPGOEURQAFSRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4/c1-26-19-12-16-8-10-24-18(17(16)13-20(19)27-2)14-21(23-22(24)25)28-11-9-15-6-4-3-5-7-15/h3-7,12-14H,8-11H2,1-2H3.
What are the key properties of 9,10-dimethoxy-2-(2-phenylethoxy)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one?
9,10-dimethoxy-2-(2-phenylethoxy)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one has a molecular weight of 378.43 g/mol, XLogP of 3.11, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-dimethoxy-2-(2-phenylethoxy)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one is sourced from PubChem (CID 162653421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).